NAV

Bietaserpine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Bietaserpine
DrugBank Accession Number
DB13575
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 707.865
Monoisotopic: 707.378180299
Chemical Formula
C39H53N3O9
Synonyms
  • Bietaserpine
External IDs
  • DL 152
  • S-1210
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of Bietaserpine.
AcebutololAcebutolol may increase the hypotensive activities of Bietaserpine.
AceclofenacThe therapeutic efficacy of Bietaserpine can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Bietaserpine can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Bietaserpine.
Food Interactions
Not Available

Categories

ATC Codes
C02AA07 — BietaserpineC02LA07 — Bietaserpine and diureticsC02AA57 — Bietaserpine, combinations
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as yohimbine alkaloids. These are alkaloids containing the pentacyclic yohimban skeleton. The Yohimbinoid alkaloids contain a carbocyclic ring E arising through C-17 to C-18 bond formation in a corynantheine precursor.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Yohimbine alkaloids
Sub Class
Not Available
Direct Parent
Yohimbine alkaloids
Alternative Parents
Corynanthean-type alkaloids / Beta carbolines / Gallic acid and derivatives / M-methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives / 3-alkylindoles / Benzoic acid esters / N-alkylindoles / Anisoles / Methoxybenzenes
show 17 more
Substituents
3-alkylindole / Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzoate ester
show 38 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0P5B94FVD5
CAS number
53-18-9
InChI Key
WFTSRDISOMSAQC-ZNFOTRSXSA-N
InChI
InChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1
IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
SMILES
CCN(CC)CCN1C2=CC(OC)=CC=C2C2=C1[C@H]1C[C@H]3[C@H](C[C@@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)[C@H](OC)[C@H]3C(=O)OC)CN1CC2

References

General References
Not Available
ChemSpider
16735698
ChEBI
125518
ChEMBL
CHEMBL3989595
ZINC
ZINC000095628218
Wikipedia
Bietaserpine

Clinical Trials

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

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00677 mg/mLALOGPS
logP4.81ALOGPS
logP4.49Chemaxon
logS-5ALOGPS
pKa (Strongest Basic)9.81Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area110.16 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity193.83 m3·mol-1Chemaxon
Polarizability79.12 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1000101900-555135b6d6b93a3e85d1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ab9-0000009300-9075d5694bc4c67f3470
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1100009800-8b78988775bb19af7815
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0c2c-0000029200-44a17e2611d04653c75c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06ri-1310109200-e63064032f2de717dbab
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-0100029100-4df61264ad7d56183d2c
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-242.59663
predicted
DeepCCS 1.0 (2019)
[M+H]+244.24986
predicted
DeepCCS 1.0 (2019)
[M+Na]+250.4067
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54