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

Details

Stereochemistry RACEMIC
Molecular Formula C14H17NO4S
Molecular Weight 295.354
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-ACETYLTHIORPHAN

SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(O)=O

InChI

InChIKey=DCMKACHZOPSUHN-UHFFFAOYSA-N
InChI=1S/C14H17NO4S/c1-10(16)20-9-12(14(19)15-8-13(17)18)7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,19)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H17NO4S
Molecular Weight 295.354
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:24:24 GMT 2023
Edited
by admin
on Sat Dec 16 09:24:24 GMT 2023
Record UNII
6V054NE7TB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-ACETYLTHIORPHAN
Common Name English
HEMIACETORPHAN
Common Name English
GLYCINE, N-(2-((ACETYLTHIO)METHYL)-1-OXO-3-PHENYLPROPYL)-, (±)-
Systematic Name English
(((2RS)-2-((ACETYLSULFANYL)METHYL)-3-PHENYLPROPANOYL)AMINO)ACETIC ACID
Systematic Name English
RACECADOTRIL IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
130242
Created by admin on Sat Dec 16 09:24:24 GMT 2023 , Edited by admin on Sat Dec 16 09:24:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID00924919
Created by admin on Sat Dec 16 09:24:24 GMT 2023 , Edited by admin on Sat Dec 16 09:24:24 GMT 2023
PRIMARY
CAS
124735-06-4
Created by admin on Sat Dec 16 09:24:24 GMT 2023 , Edited by admin on Sat Dec 16 09:24:24 GMT 2023
PRIMARY
FDA UNII
6V054NE7TB
Created by admin on Sat Dec 16 09:24:24 GMT 2023 , Edited by admin on Sat Dec 16 09:24:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity C = 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP