U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H8ClO3.Na.H2O
Molecular Weight 252.627
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NCS-356 SODIUM MONOHYDRATE

SMILES

O.[Na+].OC(\C=C\C([O-])=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=NZFKWKOBJBRWMV-TXOOBNKBSA-M
InChI=1S/C10H9ClO3.Na.H2O/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;;/h1-6,9,12H,(H,13,14);;1H2/q;+1;/p-1/b6-5+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H9ClO3
Molecular Weight 212.63
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q9HAB3
Gene ID: 79581.0
Gene Symbol: SLC52A2
Target Organism: Homo sapiens (Human)
PubMed

PubMed

TitleDatePubMed
Gamma-hydroxybutyrate receptor function studied by the modulation of nitric oxide synthase activity in rat frontal cortex punches.
1999 Dec 1
Gamma-butyrolactone (GBL) disruption of passive avoidance learning in the day-old chick appears to be due to its effect on GABAB not gamma-hydroxybutyric [corrected] acid (GHB) receptors.
2009 Feb 11
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:56:40 GMT 2023
Edited
by admin
on Sat Dec 16 07:56:40 GMT 2023
Record UNII
P95V0G7WIZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NCS-356 SODIUM MONOHYDRATE
Common Name English
2-BUTENOIC ACID, 4-(4-CHLOROPHENYL)-4-HYDROXY-, SODIUM SALT, HYDRATE (1:1:1), (2E)-
Systematic Name English
SODIUM (2E)-4-(4-CHLOROPHENYL)-4-HYDROXYBUT-2-ENOATE HYDRATE
Systematic Name English
Code System Code Type Description
CAS
1049737-99-6
Created by admin on Sat Dec 16 07:56:40 GMT 2023 , Edited by admin on Sat Dec 16 07:56:40 GMT 2023
PRIMARY
FDA UNII
P95V0G7WIZ
Created by admin on Sat Dec 16 07:56:40 GMT 2023 , Edited by admin on Sat Dec 16 07:56:40 GMT 2023
PRIMARY
PUBCHEM
16219744
Created by admin on Sat Dec 16 07:56:40 GMT 2023 , Edited by admin on Sat Dec 16 07:56:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID7045786
Created by admin on Sat Dec 16 07:56:40 GMT 2023 , Edited by admin on Sat Dec 16 07:56:40 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY