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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12N2O2S
Molecular Weight 236.2917
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-N-DEHYDROXYZILEUTON (R)-SULFOXIDE

SMILES

C[C@]([H])(c1cc2ccccc2[s@]1=O)NC(=N)O

InChI

InChIKey=KGUIRZVMBWMQQZ-VGDKGRGNSA-N
InChI=1S/C11H12N2O2S/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)16(10)15/h2-7H,1H3,(H3,12,13,14)/t7-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H12N2O2S
Molecular Weight 236.2917
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:37:16 UTC 2021
Edited
by admin
on Fri Jun 25 21:37:16 UTC 2021
Record UNII
AA5Z9B64VD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R)-N-DEHYDROXYZILEUTON (R)-SULFOXIDE
Common Name English
UREA, (1-BENZO(B)THIEN-2-YLETHYL)-, S-OXIDE, (R*,R*)-
Common Name English
UREA, (1-(1-OXIDOBENZO(B)THIEN-2-YL)ETHYL)-, (R*,R*)-
Systematic Name English
(R)-ABBOTT-66193 (R)-SULPHOXIDE
Common Name English
Code System Code Type Description
FDA UNII
AA5Z9B64VD
Created by admin on Fri Jun 25 21:37:16 UTC 2021 , Edited by admin on Fri Jun 25 21:37:16 UTC 2021
PRIMARY
CAS
171203-27-3
Created by admin on Fri Jun 25 21:37:16 UTC 2021 , Edited by admin on Fri Jun 25 21:37:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN-VITRO