Levomefolic acid

Identification

Summary

Levomefolic acid is a folate supplement used to prevent neural tube defects in pregnancy or folate deficiency.

Brand Names

Beyaz 28 Day, EnBrace HR, EnLyte, Safyral 28 Day, Tydemy 28 Day, Yaz Plus

Generic Name

Levomefolic acid

DrugBank Accession Number

DB11256

Background

Levomefolic acid (INN) is the metabolite of folic acid (Vitamin B9) and it is a predominant active form of folate found in foods and in the blood circulation, accounting for 98% of folates in human plasma ⁸. It is transported across the membranes including the blood-brain barrier into various tissues where it plays an essential role in the DNA synthesis, cysteine cycle and regulation of homocysteine, where it methylates homocysteine and forms methionine and tetrahydrofolate (THF). Levomefolate is approved as a food additive and is designated a GRAS (generally regarded as safe) compound ¹³. It is available commercially as a crystalline form of the calcium salt (Metafolin(R)), which has the stability required for use as a supplement ⁸. Supplementation of levomefolic acid is desired over folic acid due to reduced potential for masking vitamin B12 deficiency symptoms.

Type

Small Molecule

Groups

Approved, Investigational

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Levomefolic acid (DB11256)

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Weight

Average: 459.4558
Monoisotopic: 459.186631567

Chemical Formula

C₂₀H₂₅N₇O₆

Synonyms

• (6S)-5-methyltetrahydrofolate
• (6S)-5-Methyltetrahydrofolic acid
• (6S)-5-MTHF
• 5-methyl-(6S)-tetrahydrofolic acid
• L-5-methyltetrahydrofolate
• L-5-MTHF
• L-methylfolate
• Levomefolate
• Levomefolic acid
• LMSR
• N-[4-[[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-glutamic acid

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Pharmacology

Indication

For the treatment and prevention of folate deficiency and for use as an antidote against folic acid antagonists. Contained in oral contraceptives to reduce the risk of neural tube defects arising from folic acid deficiency for pregnant women who conceived during use or shortly after the discontinuation of the product. Being studied for use as a treatment for cardiovascular diseases ⁷ and adjunct therapy for patients undergoing antidepressant pharmacotherapy ^5,6.

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Associated Therapies

• Nutritional supplementation

Contraindications & Blackbox Warnings

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Pharmacodynamics

Levomefolic acid is an active metabolite of folic acid and a methyl group donor in one-carbon metabolism reactions. It regulates important cellular functions such as DNA biosynthesis, gene expression regulation, amino acid synthesis and metabolism, and myelin synthesis and repair. As a only form of folate that can cross the blood-brain barrier, it acts as a cofactor in the production of monoamine neurotransmitters such as dopamine, serotonin and norepinephrine ⁶. Levomefolic acid is also involved in red blood cell formation ¹¹.

Mechanism of action

Levomefolic acid plays a critical role in methylating homocysteines into methionine by acting as a methyl donor in a reaction catalyzed by vitamine B12-dependent methionine synthase. Homocysteine must either be further metabolized via transulfuration to become cysteine, taurine, and glutathione via a B6-dependent process, or re-methylated to become methionine again. Methionine formed from remethylation of homocysteine by levomefolic acid forms the downstream metabolite S-adenosylmethionine (SAMe), which is involved in numerous biochemical methyl donation reactions, including reactions forming monoamine neurotransmitters ¹⁰. Studies suggest that high plasma levels of homocysteine is associated with increased incidences of arterial plaque formation ⁹.

Absorption

Absorbed in the proximal small intestines via the active proton-coupled folate transporter (PCFT) that transports both oxidized and reduced folic acids. Passive diffusion also occurs at the proximal and distal portions of the small intestines ⁹. A single oral dose of 906nmol of levomefolic acid in healthy females resulted in the mean peak plasma concentration of 39.4nmol/L ⁸.

Volume of distribution

Circulates in its free form or loosely bound to plasma proteins

Protein binding

Approximately 56% bound to plasma proteins

Metabolism

Levomefolic acid is further converted into tetrahydrofolate (THF) via the vitamin B12-dependent enzyme methionine synthase before effective polyglutamylation by folylpolyglutamate synthetase (FPG). Polyglumate forms of folic acids are more effective substrates for associated enzymes in folate-dependent reactions.

Route of elimination

Mainly eliminated through renal or fecal excretion. Small proportion of excreted levomefolic acid is in unchanged form as over 99% of tissue folate is in polyglutamate form. Some portions of levomefolic acid is secreted into bile.

Half-life

The mean elimination half-life is approximately 3 hours after 5mg of oral L-methylfolate, administered daily for 7 days [775].

Clearance

Not Available

Adverse Effects

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Toxicity

Overdose of levomefolic acid is unlikely to cause clinically significant adverse events.

Pathways

Not Available

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Not Available

Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
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Capecitabine	The risk or severity of adverse effects can be increased when Levomefolic acid is combined with Capecitabine.
Carbamazepine	The serum concentration of Levomefolic acid can be decreased when it is combined with Carbamazepine.
Colestipol	The serum concentration of Levomefolic acid can be decreased when it is combined with Colestipol.
Flucytosine	The risk or severity of adverse effects can be increased when Levomefolic acid is combined with Flucytosine.
Fluorouracil	The risk or severity of adverse effects can be increased when Levomefolic acid is combined with Fluorouracil.

Food Interactions

• Take with or without food. Recommendations vary from product to product - consult individual product monographs for additional information.

Products

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Product Ingredients

Ingredient	UNII	CAS	InChI Key
Levomefolate calcium	A9R10K3F2F	151533-22-1	VWBBRFHSPXRJQD-QNTKWALQSA-L
Levomefolate glucosamine	Q65PL71Q1A	1181972-37-1	FZDRYCKUVGVDSO-KWWXADPNSA-N
Levomefolate magnesium	1VZZ62R081	1429498-11-2	UNKHRTFYDNBUHK-QNTKWALQSA-L

Product Images

International/Other Brands

Metafolin

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
L-Methylfolate Calcium	Tablet	15 mg/1	Oral	Westminster Pharmaceuticals, LLC	2021-04-09	2024-08-01
L-Methylfolate Calcium	Tablet, coated	7.5 mg/1	Oral	Virtus Pharmaceuticals	2015-02-09	Not applicable
L-Methylfolate Calcium	Tablet	7.5 mg/1	Oral	Seton Pharmaceuticals	2010-06-17	2012-10-18
L-Methylfolate Calcium	Tablet, coated	15 mg/1	Oral	Virtus Pharmaceuticals	2015-01-08	Not applicable
L-Methylfolate Calcium	Tablet	15 mg/1	Oral	Seton Pharmaceuticals	2010-06-30	2012-03-17

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Beyaz	Levomefolate calcium (0.451 mg/1) + Levomefolate calcium (0.451 mg/1) + Drospirenone (3 mg/1) + Ethinylestradiol (0.02 mg/1)	Kit; Tablet, film coated	Oral	Bayer HealthCare Pharmaceuticals Inc.	2010-10-07	Not applicable
Beyaz	Levomefolate calcium (0.451 mg/1) + Levomefolate calcium (0.451 mg/1) + Drospirenone (3 mg/1) + Ethinylestradiol (0.02 mg/1)	Kit; Tablet, film coated	Oral	Bayer HealthCare Pharmaceuticals Inc.	2010-10-07	Not applicable
Drospirenone, Ethinyl Estradiol and Levomefolate Calcium and Levomefolate Calcium	Levomefolate calcium (0.451 mg/1) + Levomefolate calcium (0.451 mg/1) + Drospirenone (3 mg/1) + Ethinylestradiol (0.02 mg/1)	Kit; Tablet, film coated	Oral	Lupin Pharmaceuticals, Inc.	2018-08-22	Not applicable
Drospirenone, Ethinyl Estradiol and Levomefolate Calcium and Levomefolate Calcium	Levomefolate calcium (0.451 mg/1) + Levomefolate calcium (0.451 mg/1) + Drospirenone (3 mg/1) + Ethinylestradiol (0.02 mg/1)	Kit; Tablet, film coated	Oral	Lupin Pharmaceuticals, Inc.	2018-08-22	Not applicable
Drospirenone/Ethinyl Estradiol/Levomefolate Calcium and Levomefolate Calcium	Levomefolate calcium (0.451 mg/1) + Levomefolate calcium (0.451 mg/1) + Drospirenone (3 mg/1) + Ethinylestradiol (0.02 mg/1)	Kit; Tablet, film coated	Oral	Sandoz Inc	2016-10-12	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Biopar delta-FORTE	Levomefolate magnesium (7 mg/1) + Cobalamin (50 ug/1) + Cobamamide (50 ug/1) + Dihydrofolic Acid (1 mg/1) + Gastric intrinsic factor (50 mg/1) + Levoleucovorin (2.5 mg/1)	Capsule	Oral	Jaymac Pharma	2023-06-01	Not applicable
BumP DHA	Levomefolate magnesium (1 mg/1) + Cobamamide (500 mg/1) + Flavin adenine dinucleotide (1 mg/1) + Flavin mononucleotide (2 mg/1) + Iron (15 mg/1) + Leucovorin (1 mg/1) + Magnesium oxide (125 mg/1) + NADH (25 ug/1) + Omega-3 fatty acids (300 mg/1) + Potassium Iodide (250 ug/1) + Pyridoxal phosphate (5 mg/1) + Pyridoxine hydrochloride (20 mg/1) + Zinc glycinate (15 1/1)	Capsule	Oral	Centurion Labs	2017-03-24	2017-04-17
Chromagen	Levomefolic acid (750 ug/1) + Ascorbic acid (60 mg/1) + Cyanocobalamin (10 ug/1) + Ferrous asparto glycinate (25 mg/1) + Ferrous fumarate (50 mg/1) + Folic acid (250 ug/1) + Gastric intrinsic factor (100 mg/1) + Zinc (12 mg/1)	Capsule	Oral	Avion Pharmaceuticals, Llc	2017-01-10	Not applicable
Davimet-M	Levomefolate calcium (1000 ug/1) + Ascorbic acid (24 mg/1) + Cholecalciferol (10 ug/1) + DL-alpha tocopheryl acetate (10 mg/1) + Mecobalamin (4.5 ug/1) + Niacin (13.5 mg/1) + Pyridoxine hydrochloride (1.05 mg/1) + Riboflavin (1.2 mg/1) + Sodium ascorbate (36 mg/1) + Thiamine mononitrate (1.05 mg/1) + Vitamin A (750 ug/1)	Tablet, chewable	Oral	PureTek Corporation	2023-11-30	Not applicable
EnBrace HR	Levomefolate magnesium (5.23 mg/1) + 1,2-docosahexanoyl-sn-glycero-3-phosphoserine calcium (6.4 mg/1) + 1,2-icosapentoyl-sn-glycero-3-phosphoserine calcium (800 ug/1) + Betaine (500 ug/1) + Cobamamide (50 ug/1) + Cocarboxylase (25 ug/1) + Ferrous cysteine glycinate (13.6 mg/1) + Flavin adenine dinucleotide (25 ug/1) + Folic acid (1 mg/1) + Magnesium L-threonate (1 mg/1) + Leucovorin (2.5 mg/1) + Magnesium ascorbate (24 mg/1) + NADH (25 ug/1) + Phosphatidyl serine (12 mg/1) + Pyridoxal phosphate (25 ug/1) + Zinc ascorbate (1 mg/1)	Capsule, delayed release pellets	Oral	Jaymac Pharma	2011-08-12	Not applicable

Categories

Drug Categories

• Amino Acids
• Amino Acids, Acidic
• Amino Acids, Dicarboxylic
• Amino Acids, Peptides, and Proteins
• Coenzymes
• Enzymes and Coenzymes
• Folate Analog
• Folic Acid and Derivatives
• Heterocyclic Compounds, Fused-Ring
• Pteridines
• Pterins
• Vitamin B Complex
• Vitamins

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Tetrahydrofolic acids

Alternative Parents

Glutamic acid and derivatives / N-acyl-alpha amino acids / Hippuric acids / Aminobenzamides / Aniline and substituted anilines / Phenylalkylamines / Benzoyl derivatives / Dialkylarylamines / Aminopyrimidines and derivatives / Secondary alkylarylamines / Pyrimidones / Dicarboxylic acids and derivatives / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids / Carboxylic acids / Azacyclic compounds / Organic oxides / Carbonyl compounds / Organopnictogen compounds / Primary amines / Hydrocarbon derivatives

show 13 more

Substituents

Alpha-amino acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aminobenzamide / Aminobenzoic acid or derivatives / Aminopyrimidine / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Benzamide / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Dialkylarylamine / Dicarboxylic acid or derivatives / Glutamic acid or derivatives / Heteroaromatic compound / Hippuric acid / Hippuric acid or derivatives / Hydrocarbon derivative / Monocyclic benzene moiety / N-acyl-alpha amino acid or derivatives / N-acyl-alpha-amino acid / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Phenylalkylamine / Primary amine / Pyrimidine / Pyrimidone / Secondary aliphatic/aromatic amine / Secondary amine / Secondary carboxylic acid amide / Tertiary aliphatic/aromatic amine / Tertiary amine / Tetrahydrofolic acid / Vinylogous amide

show 35 more

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

tetrahydrofolic acid (CHEBI:15641)

Affected organisms

Not Available

Chemical Identifiers

UNII

8S95DH25XC

CAS number

31690-09-2

InChI Key

ZNOVTXRBGFNYRX-STQMWFEESA-N

InChI

InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1

IUPAC Name

(2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid

SMILES

CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2

References

General References

1. Fruzzetti F: Beyaz(R): an oral contraceptive fortified with folate. Womens Health (Lond). 2012 Jan;8(1):13-9. doi: 10.2217/whe.11.68. [Article]
2. Bart S Sr, Marr J, Diefenbach K, Trummer D, Sampson-Landers C: Folate status and homocysteine levels during a 24-week oral administration of a folate-containing oral contraceptive: a randomized, double-blind, active-controlled, parallel-group, US-based multicenter study. Contraception. 2012 Jan;85(1):42-50. doi: 10.1016/j.contraception.2011.05.013. Epub 2011 Jul 13. [Article]
3. Rapkin RB, Creinin MD: The combined oral contraceptive pill containing drospirenone and ethinyl estradiol plus levomefolate calcium. Expert Opin Pharmacother. 2011 Oct;12(15):2403-10. doi: 10.1517/14656566.2011.610791. Epub 2011 Aug 31. [Article]
4. Wilson SM, Bivins BN, Russell KA, Bailey LB: Oral contraceptive use: impact on folate, vitamin B(6), and vitamin B(1)(2) status. Nutr Rev. 2011 Oct;69(10):572-83. doi: 10.1111/j.1753-4887.2011.00419.x. [Article]
5. Ginsberg LD, Oubre AY, Daoud YA: L-methylfolate Plus SSRI or SNRI from Treatment Initiation Compared to SSRI or SNRI Monotherapy in a Major Depressive Episode. Innov Clin Neurosci. 2011 Jan;8(1):19-28. [Article]
6. Shelton RC, Sloan Manning J, Barrentine LW, Tipa EV: Assessing Effects of l-Methylfolate in Depression Management: Results of a Real-World Patient Experience Trial. Prim Care Companion CNS Disord. 2013;15(4). pii: PCC.13m01520. doi: 10.4088/PCC.13m01520. Epub 2013 Aug 29. [Article]
7. Willems FF, Boers GH, Blom HJ, Aengevaeren WR, Verheugt FW: Pharmacokinetic study on the utilisation of 5-methyltetrahydrofolate and folic acid in patients with coronary artery disease. Br J Pharmacol. 2004 Mar;141(5):825-30. Epub 2004 Feb 9. [Article]
8. Pietrzik K, Bailey L, Shane B: Folic acid and L-5-methyltetrahydrofolate: comparison of clinical pharmacokinetics and pharmacodynamics. Clin Pharmacokinet. 2010 Aug;49(8):535-48. doi: 10.2165/11532990-000000000-00000. [Article]
9. Miraglia N, Agostinetto M, Bianchi D, Valoti E: Enhanced oral bioavailability of a novel folate salt: comparison with folic acid and a calcium folate salt in a pharmacokinetic study in rats. Minerva Ginecol. 2016 Apr;68(2):99-105. [Article]
10. Miller AL: The methylation, neurotransmitter, and antioxidant connections between folate and depression. Altern Med Rev. 2008 Sep;13(3):216-26. [Article]
11. Lamers Y, Prinz-Langenohl R, Bramswig S, Pietrzik K: Red blood cell folate concentrations increase more after supplementation with [6S]-5-methyltetrahydrofolate than with folic acid in women of childbearing age. Am J Clin Nutr. 2006 Jul;84(1):156-61. [Article]
12. Dailymed [Link]
13. FDA Center for Drug Evaluation and Research: Summary Review [Link]
14. Cayman Chemicals Safety Data Sheet [Link]
15. Dailymed L-Methyl-MC-NAC Tablets [Link]

External Links

KEGG Compound

C00440

PubChem Compound

444412

PubChem Substance

347827954

ChemSpider

392351

BindingDB

50391007

RxNav

1025342

ChEBI

136009

ChEMBL

CHEMBL1231574

ZINC

ZINC000002005305

PharmGKB

PA166129561

PDBe Ligand

THH

Drugs.com

Drugs.com Drug Page

Wikipedia

Levomefolic_acid

PDB Entries

1b02 / 1q8j / 1tls / 1tsn / 1u1j / 1wsv / 1xpg / 1xr2 / 1zp4 / 2e7f …

show 27 more

MSDS

Download (51 KB)

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">

Phase	Status	Purpose	Conditions	Count
4	Completed	Treatment	Polycystic Ovarian Syndrome (PCOS)	1
4	Not Yet Recruiting	Other	Generalized Anxiety Disorder	1
4	Recruiting	Treatment	Acute Diarrhea	1
4	Recruiting	Treatment	Iron Deficiency Anemia of Pregnancy / Iron Storage Disease	1
4	Terminated	Treatment	Anemia	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Kit; tablet, film coated	Oral
Capsule	Oral	15 mg/1
Capsule, delayed release pellets	Oral
Solution / drops	Oral
Tablet	Oral
Tablet	Oral	15 mg/1
Tablet	Oral	7.5 mg/1
Tablet, coated	Oral	15 mg/1
Tablet, coated	Oral	7.5 mg/1
Tablet, coated	Oral
Capsule	Oral
Capsule, liquid filled; kit; tablet	Oral
Capsule, liquid filled; kit; tablet, film coated	Oral
Suspension / drops	Oral
Kit	Oral
Tablet, film coated	Oral
Capsule, gelatin coated	Oral
Liquid	Oral
Capsule, liquid filled	Oral
Tablet, chewable	Oral
Capsule; kit; tablet, coated	Oral
Powder	Oral; Topical
Powder	Oral

Prices

Not Available

Patents

Patent Number	Pediatric Extension	Approved	Expires (estimated)	Region
US7163931	No	2007-01-16	2021-12-20
US6958326	No	2005-10-25	2021-12-20
US5798338	No	1998-08-25	2015-07-10
US6441168	No	2002-08-27	2022-07-30
US8617597	No	2013-12-31	2030-02-08
US11617751	No	2010-07-17	2030-07-17

Properties

State

Solid

Experimental Properties

Property	Value	Source
boiling point (°C)	221	MSDS
water solubility	Approximately 0.3 mg/ml	Cayman Chemical Safety Data Sheet

Predicted Properties

Property	Value	Source
Water Solubility	0.332 mg/mL	ALOGPS
logP	-0.58	ALOGPS
logP	-3	Chemaxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.23	Chemaxon
pKa (Strongest Basic)	5.32	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	12	Chemaxon
Hydrogen Donor Count	7	Chemaxon
Polar Surface Area	198.48 Å2	Chemaxon
Rotatable Bond Count	9	Chemaxon
Refractivity	126.68 m3·mol-1	Chemaxon
Polarizability	46.56 Å3	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0209000000-bc39a561e34ef2dd829c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0002900000-9f11e687468c9cb33847
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0209100000-57a17001eef7ce551306
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ue9-1904300000-971d324927f268b4a519
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0913000000-2ac627a3103a392beb1c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0uxu-3837900000-71bc9ab44596b01eeedd
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	243.4135067	predicted	DarkChem Lite v0.1.0
[M-H]-	243.3961067	predicted	DarkChem Lite v0.1.0
[M-H]-	193.82654	predicted	DeepCCS 1.0 (2019)
[M+H]+	243.5589067	predicted	DarkChem Lite v0.1.0
[M+H]+	243.3271067	predicted	DarkChem Lite v0.1.0
[M+H]+	196.2221	predicted	DeepCCS 1.0 (2019)
[M+Na]+	242.9517067	predicted	DarkChem Lite v0.1.0
[M+Na]+	242.7082067	predicted	DarkChem Lite v0.1.0
[M+Na]+	202.13463	predicted	DeepCCS 1.0 (2019)

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Drug created at December 03, 2015 16:51 / Updated at February 02, 2024 22:52