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

Details

Stereochemistry RACEMIC
Molecular Formula C22H18N4O3S
Molecular Weight 418.468
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AXITINIB SULFOXIDE PYRIDINE-N-OXIDE

SMILES

CNC(=O)C1=CC=CC=C1[S+]([O-])C2=CC3=C(C=C2)C(\C=C\C4=CC=CC=[N+]4[O-])=NN3

InChI

InChIKey=FPGWJJMKJRKVRA-FMIVXFBMSA-N
InChI=1S/C22H18N4O3S/c1-23-22(27)18-7-2-3-8-21(18)30(29)16-10-11-17-19(24-25-20(17)14-16)12-9-15-6-4-5-13-26(15)28/h2-14H,1H3,(H,23,27)(H,24,25)/b12-9+

HIDE SMILES / InChI

Molecular Formula C22H18N4O3S
Molecular Weight 418.468
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:24:38 UTC 2023
Edited
by admin
on Sat Dec 16 15:24:38 UTC 2023
Record UNII
6ID0Q0B0IK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AXITINIB SULFOXIDE PYRIDINE-N-OXIDE
Common Name English
BENZAMIDE, N-METHYL-2-((3-((1E)-2-(1-OXIDO-2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)SULFINYL)-
Systematic Name English
AXITINIB METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
6ID0Q0B0IK
Created by admin on Sat Dec 16 15:24:38 UTC 2023 , Edited by admin on Sat Dec 16 15:24:38 UTC 2023
PRIMARY
CAS
1348044-24-5
Created by admin on Sat Dec 16 15:24:38 UTC 2023 , Edited by admin on Sat Dec 16 15:24:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE