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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O4S
Molecular Weight 206.259
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-MERCAPTOPROPYL)PENTANEDIOIC ACID, (2S)-

SMILES

OC(=O)CC[C@@H](CCCS)C(O)=O

InChI

InChIKey=FNLNSQHJKVQCBP-ZCFIWIBFSA-N
InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H14O4S
Molecular Weight 206.259
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:48:16 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:16 GMT 2023
Record UNII
VD7R92E9CG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-MERCAPTOPROPYL)PENTANEDIOIC ACID, (2S)-
Systematic Name English
GPI16477
Code English
(2S)-2-(3-SULFANYLPROPYL)PENTANEDIOIC ACID
Systematic Name English
GPI-16477
Code English
PENTANEDIOIC ACID, 2-(3-MERCAPTOPROPYL)-, (2S)-
Systematic Name English
GPI-5693, S-ENANTIOMER
Code English
Code System Code Type Description
CAS
848952-63-6
Created by admin on Sat Dec 16 11:48:16 GMT 2023 , Edited by admin on Sat Dec 16 11:48:16 GMT 2023
PRIMARY
FDA UNII
VD7R92E9CG
Created by admin on Sat Dec 16 11:48:16 GMT 2023 , Edited by admin on Sat Dec 16 11:48:16 GMT 2023
PRIMARY
PUBCHEM
11735892
Created by admin on Sat Dec 16 11:48:16 GMT 2023 , Edited by admin on Sat Dec 16 11:48:16 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
Pretreatment with the same doses (15, 30, 60 mg/kg, p.o.) of GPI-16476 or GPI-16477, two enantiomers of GPI-5693, also inhibited cocaine-induced reinstatement similar to GPI-5693. In contrast, GPI-5693 altered neither oral sucrose self-administration nor sucrose-triggered reinstatement of sucrose-seeking behavior.