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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24ClN7O2S
Molecular Weight 485.9915
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(6-((5-(8-CHLORO-4H-3,1-BENZOXAZIN-2-YL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHANOL

SMILES

Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(C4=Nc5c(cccc5Cl)CO4)s3

InChI

InChIKey=NZZHWCBOVGYLJV-UHFFFAOYSA-N
InChI=1S/C22H24ClN7O2S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(33-22)21-28-20-15(13-32-21)3-2-4-16(20)23/h2-4,11-12,31H,5-10,13H2,1H3,(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H24ClN7O2S
Molecular Weight 485.9915
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:56:32 UTC 2021
Edited
by admin
on Sat Jun 26 06:56:32 UTC 2021
Record UNII
841PW2AE9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(6-((5-(8-CHLORO-4H-3,1-BENZOXAZIN-2-YL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ETHANOL
Systematic Name English
DASATINIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
126961376
Created by admin on Sat Jun 26 06:56:33 UTC 2021 , Edited by admin on Sat Jun 26 06:56:33 UTC 2021
PRIMARY
FDA UNII
841PW2AE9X
Created by admin on Sat Jun 26 06:56:33 UTC 2021 , Edited by admin on Sat Jun 26 06:56:33 UTC 2021
PRIMARY
CAS
1050203-84-3
Created by admin on Sat Jun 26 06:56:33 UTC 2021 , Edited by admin on Sat Jun 26 06:56:33 UTC 2021
PRIMARY
Related Record Type Details
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