Acetate

Identification

Generic Name

Acetate

DrugBank Accession Number

DB14511

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

3D

Download

MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Acetate (DB14511)

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Weight

Average: 59.044
Monoisotopic: 59.01330434

Chemical Formula

C₂H₃O₂

Synonyms

• Acetate
• Acetate anion
• Acetate ion
• Acetate ion (1-)
• Acetic acid anion
• Acetic acid, ion(1-)
• Acetoxy ion
• Azetat

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Pharmacology

Indication

Not Available

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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

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Interactions

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Food Interactions

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Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 1870 ML	Acetate (60 mmol) + Alanine (7.28 g) + Arginine (4.05 g) + Aspartic acid (2.25 g) + Calcium (4.5 mmol) + Calcium chloride dihydrate (0.662 g) + Chlorine (72 mmol) + D-glucose (120 g) + Glutamic acid (5.25 g) + Glycine (2.48 g) + Histidine (1.88 g) + Isoleucine (3.51 g) + Leucine (4.7 g) + Lysine (3.39 g) + Magnesium (4.5 mmol) + Magnesium acetate tetrahydrate (0.966 g) + Medium-chain triglycerides (37.5 g) + Methionine (2.94 g) + Phenylalanine (5.27 g) + Potassium (45 mmol) + Potassium acetate (4.415 g) + Proline (5.1 g) + Serine (4.5 g) + Sodium acetate trihydrate (0.816 g) + Sodium cation (75 mmol) + Sodium chloride (1.622 g) + Sodium hydroxide (1.2 g) + Sodium phosphate, monobasic, dihydrate (1.755 g) + Soybean oil (37.5 g) + Threonine (2.73 g) + Tryptophan (0.86 g) + Valine (3.9 g) + Zinc (0.045 mmol) + Zinc acetate dihydrate (9.938 mg)	Injection, emulsion	Intravenous	B.BRAUN MEDİKAL DIŞ TİC. A.Ş.	2005-11-16	2018-10-12
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 2500 ML	Acetate (80 mmol) + Alanine (9.7 g) + Arginine (5.4 g) + Aspartic acid (3 g) + Calcium (6 mmol) + Calcium chloride dihydrate (0.882 g) + Chlorine (96 mmol) + D-glucose (160 g) + Glutamic acid (7 g) + Glycine (3.3 g) + Histidine (2.5 g) + Isoleucine (4.68 g) + Leucine (6.26 g) + Lysine (4.52 g) + Magnesium (6 mmol) + Magnesium acetate tetrahydrate (1.288 g) + Medium-chain triglycerides (50 g) + Methionine (3.92 g) + Phenylalanine (7.02 g) + Potassium (60 mmol) + Potassium acetate (5.886 g) + Proline (6.8 g) + Serine (6 g) + Sodium acetate trihydrate (1.088 g) + Sodium cation (100 mmol) + Sodium chloride (2.162 g) + Sodium hydroxide (1.6 g) + Sodium phosphate, monobasic, dihydrate (2.34 g) + Soybean oil (50 g) + Threonine (3.64 g) + Tryptophan (1.14 g) + Valine (5.2 g) + Zinc (0.06 mmol) + Zinc acetate dihydrate (13.25 mg)	Injection, emulsion	Intravenous	B.BRAUN MEDİKAL DIŞ TİC. A.Ş.	2020-08-14	2018-10-12
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1250 ML	Acetate (45 mmol) + Alanine (5.82 g) + Arginine (3.24 g) + Aspartic acid (1.8 g) + Calcium (4 mmol) + Calcium chloride dihydrate (0.588 g) + Chlorine (45 mmol) + D-glucose (150 g) + Glutamic acid (4.21 g) + Glycine (1.98 g) + Histidine (1.5 g) + Isoleucine (2.82 g) + Leucine (3.76 g) + Lysine (2.73 g) + Magnesium (4 mmol) + Magnesium acetate tetrahydrate (0.858 g) + Medium-chain triglycerides (25 g) + Methionine (2.35 g) + Phenylalanine (4.21 g) + Phosphate ion (15 mmol) + Potassium (35 mmol) + Potassium acetate (3.434 g) + Proline (4.08 g) + Serine (3.6 g) + Sodium acetate trihydrate (0.277 g) + Sodium cation (50 mmol) + Sodium chloride (0.503 g) + Sodium hydroxide (0.976 g) + Sodium phosphate, monobasic, dihydrate (2.34 g) + Soybean oil (25 g) + Threonine (2.18 g) + Tryptophan (0.68 g) + Valine (3.12 g) + Zinc (0.03 mmol) + Zinc acetate dihydrate (6.58 mg)	Injection, emulsion	Intravenous	B.BRAUN MEDİKAL DIŞ TİC. A.Ş.	2005-11-16	2018-10-03
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1870 ML	Acetate (67.5 mmol) + Alanine (8.73 g) + Arginine (4.86 g) + Aspartic acid (2.7 g) + Calcium (6 mmol) + Calcium chloride dihydrate (0.882 g) + Chlorine (67.5 mmol) + D-glucose (225 g) + Glutamic acid (6.32 g) + Glycine (2.97 g) + Histidine (2.25 g) + Isoleucine (4.23 g) + Leucine (5.64 g) + Lysine (4.1 g) + Magnesium (6 mmol) + Magnesium acetate tetrahydrate (1.287 g) + Medium-chain triglycerides (37.5 g) + Methionine (3.53 g) + Phenylalanine (6.32 g) + Phosphate ion (22.5 mmol) + Potassium (52.5 mmol) + Potassium acetate (5.151 g) + Proline (6.12 g) + Serine (5.4 g) + Sodium acetate trihydrate (0.416 g) + Sodium cation (75 mmol) + Sodium chloride (0.755 g) + Sodium hydroxide (1.464 g) + Sodium phosphate, monobasic, dihydrate (3.51 g) + Soybean oil (37.5 g) + Threonine (3.27 g) + Tryptophan (1.02 g) + Valine (4.68 g) + Zinc (0.045 mmol) + Zinc acetate dihydrate (9.87 mg)	Injection, emulsion	Intravenous	B.BRAUN MEDİKAL DIŞ TİC. A.Ş.	2005-11-16	2018-10-03
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 2500 ML	Acetate (90 mmol) + Alanine (11.64 g) + Arginine (6.48 g) + Aspartic acid (3.6 g) + Calcium (8 mmol) + Calcium chloride dihydrate (1.176 g) + Chlorine (90 mmol) + D-glucose (300 g) + Glutamic acid (8.42 g) + Glycine (3.96 g) + Histidine (3 g) + Isoleucine (5.64 g) + Leucine (7.52 g) + Lysine (5.46 g) + Magnesium (8 mmol) + Magnesium acetate tetrahydrate (1.716 g) + Medium-chain triglycerides (50 g) + Methionine (4.7 g) + Phenylalanine (8.42 g) + Phosphate ion (30 mmol) + Potassium (70 mmol) + Potassium acetate (6.868 g) + Proline (8.16 g) + Serine (7.2 g) + Sodium acetate trihydrate (0.554 g) + Sodium cation (100 mmol) + Sodium chloride (1.006 g) + Sodium hydroxide (1.952 g) + Sodium phosphate, monobasic, dihydrate (4.68 g) + Soybean oil (50 g) + Threonine (4.36 g) + Tryptophan (1.36 g) + Valine (6.24 g) + Zinc (0.06 mmol) + Zinc acetate dihydrate (13.16 mg)	Injection, emulsion	Intravenous	B.BRAUN MEDİKAL DIŞ TİC. A.Ş.	2020-08-14	2018-10-03

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
V-Natal	Acetate (30 [iU]/1) + Calcium carbonate (45 mg/1) + Cholecalciferol (450 [iU]/1) + Choline bitartrate (55 mg/1) + Cyanocobalamin (10 ug/1) + Ferrous bisglycinate (32 mg/1) + Folic acid (1000 ug/1) + Calcium formate (155 mg/1) + Nicotinamide (20 mg/1) + Potassium Iodide (100 ug/1) + Pyridoxine (50 mg/1) + Riboflavin (3 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (3 mg/1) + Zinc oxide (10 mg/1)	Tablet, coated	Oral	Virtus Pharmaceuticals	2012-07-12	2013-02-19
Virt-Bal DHA Plus	Acetate (3 mg/1) + Beta carotene (2850 [iU]/1) + Calcium carbonate (219 mg/1) + Cholecalciferol (840 [iU]/1) + Cupric oxide (2 mg/1) + Cyanocobalamin (12 ug/1) + Doconexent (262 mg/1) + Ferrous bisglycinate hydrochloride (26.49 mg/1) + Folic acid (1 mg/1) + Icosapent (112 mg/1) + Iodine (220 ug/1) + Magnesium oxide (25 mg/1) + Nicotinamide (20 mg/1) + Pyridoxine (50 mg/1) + Riboflavin (4 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (1.8 mg/1) + Zinc oxide (25 mg/1)	Kit	Oral	Virtus Pharmaceuticals	2012-07-12	2013-02-09

Categories

Drug Categories

• Acetates
• Acids, Acyclic
• Fatty Acids
• Fatty Acids, Volatile
• Lipids

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acids

Direct Parent

Carboxylic acids

Alternative Parents

Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Organic anions

Substituents

Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic anion / Organic oxide / Organic oxygen compound / Organooxygen compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

monocarboxylic acid anion (CHEBI:30089) / a carboxylate (ACET)

Affected organisms

Not Available

Chemical Identifiers

UNII

569DQM74SC

CAS number

71-50-1

InChI Key

QTBSBXVTEAMEQO-UHFFFAOYSA-M

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

IUPAC Name

acetate

SMILES

CC([O-])=O

References

General References

Not Available

External Links

ChemSpider

170

BindingDB

50159793

RxNav

164

ChEBI

30089

PDBe Ligand

ACT

Wikipedia

Acetate

PDB Entries

19hc / 1a44 / 1agn / 1aok / 1aq0 / 1as4 / 1atg / 1avq / 1b2h / 1b32 …

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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
2	Recruiting	Treatment	Aging / Vascular Stiffness / Vasodilation	1
Not Available	Completed	Basic Science	Brain Function / Cerebral Blood Flow	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Injection, emulsion	Intravenous
Emulsion	Intravenous
Tablet, film coated	Oral
Tablet, coated	Oral
Solution	Intravenous
Kit	Oral

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	490.0 mg/mL	ALOGPS
logP	-0.29	ALOGPS
logP	-0.22	Chemaxon
logS	0.8	ALOGPS
pKa (Strongest Acidic)	4.54	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	40.13 Å2	Chemaxon
Rotatable Bond Count	0	Chemaxon
Refractivity	23.48 m3·mol-1	Chemaxon
Polarizability	4.96 Å3	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
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]-	94.2551205	predicted	DarkChem Lite v0.1.0
[M-H]-	116.97008	predicted	DeepCCS 1.0 (2019)
[M-H]-	94.2551205	predicted	DarkChem Lite v0.1.0
[M-H]-	116.97008	predicted	DeepCCS 1.0 (2019)
[M+H]+	118.73413	predicted	DeepCCS 1.0 (2019)
[M+H]+	118.73413	predicted	DeepCCS 1.0 (2019)
[M+Na]+	127.25155	predicted	DeepCCS 1.0 (2019)
[M+Na]+	127.25155	predicted	DeepCCS 1.0 (2019)

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Drug created at July 11, 2018 22:48 / Updated at May 05, 2022 17:09