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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18N4O2S
Molecular Weight 402.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-METHYL-2-((3-((E)-2-(1-OXIDOPYRIDIN-1-IUM-2-YL)VINYL)-1H-INDAZOL-6-YL)SULFANYL)BENZAMIDE

SMILES

CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(\C=C\C4=CC=CC=[N+]4[O-])=NN3

InChI

InChIKey=BWCABLGEIXVYOU-FMIVXFBMSA-N
InChI=1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)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 C22H18N4O2S
Molecular Weight 402.469
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:52:09 UTC 2023
Edited
by admin
on Thu Jul 06 20:52:09 UTC 2023
Record UNII
9AQ388RV8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-METHYL-2-((3-((E)-2-(1-OXIDOPYRIDIN-1-IUM-2-YL)VINYL)-1H-INDAZOL-6-YL)SULFANYL)BENZAMIDE
Systematic Name English
AXITINIB METABOLITE M14
Common Name English
Code System Code Type Description
FDA UNII
9AQ388RV8M
Created by admin on Thu Jul 06 20:52:10 UTC 2023 , Edited by admin on Thu Jul 06 20:52:10 UTC 2023
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