Acetate

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

Identification

Generic Name
Acetate
DrugBank Accession Number
DB14511
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
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

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
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
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.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 1870 MLAcetate (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, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-12Turkey flag
NUTRIFLEX LIPID PERI INFUZYONLUK IV EMULSIYON, 2500 MLAcetate (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, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2020-08-142018-10-12Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1250 MLAcetate (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, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-03Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 1870 MLAcetate (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, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2005-11-162018-10-03Turkey flag
NUTRIFLEX LIPID PLUS INFUZYONLUK EMULSIYON, 2500 MLAcetate (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, emulsionIntravenousB.BRAUN MEDİKAL DIŞ TİC. A.Ş.2020-08-142018-10-03Turkey flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
V-NatalAcetate (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, coatedOralVirtus Pharmaceuticals2012-07-122013-02-19US flag
Virt-Bal DHA PlusAcetate (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)KitOralVirtus Pharmaceuticals2012-07-122013-02-09US flag

Categories

Drug Categories
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
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
show 6658 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentAging / Vascular Stiffness / Vasodilation1
Not AvailableCompletedBasic ScienceBrain Function / Cerebral Blood Flows1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Injection, emulsionIntravenous
EmulsionIntravenous
Tablet, film coatedOral
Tablet, coatedOral
SolutionIntravenous
KitOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility490.0 mg/mLALOGPS
logP-0.29ALOGPS
logP-0.22Chemaxon
logS0.8ALOGPS
pKa (Strongest Acidic)4.54Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity23.48 m3·mol-1Chemaxon
Polarizability4.96 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[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)

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