Details of the Drug

General Information of Drug (ID: DMH21E0)

Drug Name
Sodium acetate anhydrous
Synonyms Sodium Acetate In Plastic Container
Indication
Disease Entry ICD 11 Status REF
Hyponatraemia 5C72 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 82.03
Topological Polar Surface Area Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
ADMET Property
Metabolism
The drug is metabolized via the liver [2]
Chemical Identifiers
Formula
C2H3NaO2
IUPAC Name
sodium;acetate
Canonical SMILES
CC(=O)[O-].[Na+]
InChI
InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey
VMHLLURERBWHNL-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
517045
ChEBI ID
CHEBI:32954
CAS Number
127-09-3
DrugBank ID
DB09395
TTD ID
D0Z4UY
INTEDE ID
DR1492

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Acetyl-CoA synthetase (ACSS2)
Main DME 		DEE76VW ACSA_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Sodium acetate anhydrous (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Choline salicylate DM8P137 Moderate as urine pH determines the ionization state of weakly acidic or weakly alkaline drugs. Sodium acetate anhydrous caused by Choline salicylate mediated altered urine pH. Postoperative inflammation [1A00-CA43] [4]

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
3 Sodium acetate induces a metabolic alkalosis but not the increase in fatty acid oxidation observed following bicarbonate ingestion in humans. J Nutr. 2007 Jul;137(7):1750-6.
4 Balali-Mood M, Prescott LF "Failure of alkaline diuresis to enhance diflunisal elimination." Br J Clin Pharmacol 10 (1980): 163-5. [PMID: 7426277]