ACAMPROSATE CALCIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 59375N1D0U
Parent Compound: ACAMPROSATE

Structure
InChI Key BUVGWDNTAWHSKI-UHFFFAOYSA-L
Smile CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
InChI
InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20CaN2O8S2
Molecular Weight 400.49
AlogP -0.6
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.47
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR GABA-A receptor; anion channel positive modulator FDA PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 4 D000437 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
11.5
Injury, poisoning and procedural complications
11.13
General disorders and administration site conditions
10.4
Gastrointestinal disorders
9.85
Nervous system disorders
9.31
Vascular disorders
6.57
Hepatobiliary disorders
5.66
Infections and infestations
4.2
Respiratory, thoracic and mediastinal disorders
4.2
Skin and subcutaneous tissue disorders
4.01
Investigations
3.83
Metabolism and nutrition disorders
2.92
Musculoskeletal and connective tissue disorders
2.92
Immune system disorders
2.55
Cardiac disorders
2.19

Cross References

Resources Reference
ChEBI 51042
ChEMBL CHEMBL2068724
EPA CompTox DTXSID6047529
FDA SRS 59375N1D0U
PubChem 155434
SureChEMBL SCHEMBL137771
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