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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22ClN7OS
Molecular Weight 443.9548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESHYDROXYETHYL DASATINIB

SMILES

Cc1cccc(c1N=C(c2cnc(Nc3cc(nc(C)n3)N4CCNCC4)s2)O)Cl

InChI

InChIKey=DOBZFFWLHXORTB-UHFFFAOYSA-N
InChI=1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,23,24,25,26)

HIDE SMILES / InChI

Molecular Formula C20H22ClN7OS
Molecular Weight 443.9548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 14:07:04 UTC 2021
Edited
by admin
on Sat Jun 26 14:07:04 UTC 2021
Record UNII
38T0L9673E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESHYDROXYETHYL DASATINIB
Common Name English
BMS-528691
Code English
N-(2-CHLORO-6-METHYL-PHENYL)-2-((2-METHYL-6-PIPERAZIN-1-YL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE
Systematic Name English
N-DESHYDROXYETHYL DASATINIB METABOLITE M4
Common Name English
Code System Code Type Description
EPA CompTox
910297-51-7
Created by admin on Sat Jun 26 14:07:04 UTC 2021 , Edited by admin on Sat Jun 26 14:07:04 UTC 2021
PRIMARY
PUBCHEM
11669430
Created by admin on Sat Jun 26 14:07:04 UTC 2021 , Edited by admin on Sat Jun 26 14:07:04 UTC 2021
PRIMARY
CAS
910297-51-7
Created by admin on Sat Jun 26 14:07:04 UTC 2021 , Edited by admin on Sat Jun 26 14:07:04 UTC 2021
PRIMARY
FDA UNII
38T0L9673E
Created by admin on Sat Jun 26 14:07:04 UTC 2021 , Edited by admin on Sat Jun 26 14:07:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Metabolite M4 was approximately equipotent to dasatinib