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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18N4O2S
Molecular Weight 402.4708
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYL-N-(HYDROXYMETHYL)AXITINIB

SMILES

c1ccc(c(c1)C(=NCO)O)Sc2ccc3c(/C(/[H])=C(\[H])/c4ccccn4)[nH]nc3c2

InChI

InChIKey=ALSDUZBWFAEEIQ-DHZHZOJOSA-N
InChI=1S/C22H18N4O2S/c27-14-24-22(28)18-6-1-2-7-21(18)29-16-9-10-17-19(25-26-20(17)13-16)11-8-15-5-3-4-12-23-15/h1-13,27H,14H2,(H,24,28)(H,25,26)/b11-8+

HIDE SMILES / InChI

Molecular Formula C22H18N4O2S
Molecular Weight 402.4708
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 Sat Jun 26 16:22:37 UTC 2021
Edited
by admin
on Sat Jun 26 16:22:37 UTC 2021
Record UNII
M3MW1SN0H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYL-N-(HYDROXYMETHYL)AXITINIB
Common Name English
BENZAMIDE, N-(HYDROXYMETHYL)-2-((3-((1E)-2-(2-PYRIDINYL)ETHENYL)-1H-INDAZOL-6-YL)THIO)-
Systematic Name English
AXITINIB METABOLITE M8B
Common Name English
Code System Code Type Description
FDA UNII
M3MW1SN0H4
Created by admin on Sat Jun 26 16:22:37 UTC 2021 , Edited by admin on Sat Jun 26 16:22:37 UTC 2021
PRIMARY
PUBCHEM
146675090
Created by admin on Sat Jun 26 16:22:37 UTC 2021 , Edited by admin on Sat Jun 26 16:22:37 UTC 2021
PRIMARY
CAS
1349772-83-3
Created by admin on Sat Jun 26 16:22:37 UTC 2021 , Edited by admin on Sat Jun 26 16:22:37 UTC 2021
PRIMARY
Related Record Type Details
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