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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H14N2O2
Molecular Weight 218.2518
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROGLETIMIDE, (S)-

SMILES

CC[C@]1(CCC(=O)NC1=O)C2=CC=NC=C2

InChI

InChIKey=QXKJWHWUDVQATH-LBPRGKRZSA-N
InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H14N2O2
Molecular Weight 218.2518
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 11:16:46 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:46 GMT 2023
Record UNII
04N5N80JIS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROGLETIMIDE, (S)-
Common Name English
(-)-(S)-ROGLETIMIDE
Common Name English
2,6-PIPERIDINEDIONE, 3-ETHYL-3-(4-PYRIDINYL)-, (S)-
Systematic Name English
2,6-PIPERIDINEDIONE, 3-ETHYL-3-(4-PYRIDINYL)-, (3S)-
Systematic Name English
Code System Code Type Description
CAS
121742-47-0
Created by admin on Sat Dec 16 11:16:46 GMT 2023 , Edited by admin on Sat Dec 16 11:16:46 GMT 2023
PRIMARY
FDA UNII
04N5N80JIS
Created by admin on Sat Dec 16 11:16:46 GMT 2023 , Edited by admin on Sat Dec 16 11:16:46 GMT 2023
PRIMARY
PUBCHEM
13472064
Created by admin on Sat Dec 16 11:16:46 GMT 2023 , Edited by admin on Sat Dec 16 11:16:46 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER