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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26ClN7O3S
Molecular Weight 504.0068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-748730

SMILES

Cc1cc(cc(c1N=C(c2cnc(Nc3cc(nc(C)n3)N4CCN(CC4)CCO)s2)O)Cl)O

InChI

InChIKey=YYTXGSVGHHVHNZ-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O3S/c1-13-9-15(32)10-16(23)20(13)28-21(33)17-12-24-22(34-17)27-18-11-19(26-14(2)25-18)30-5-3-29(4-6-30)7-8-31/h9-12,31-32H,3-8H2,1-2H3,(H,28,33)(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H26ClN7O3S
Molecular Weight 504.0068
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:05:16 UTC 2021
Edited
by admin
on Fri Jun 25 23:05:16 UTC 2021
Record UNII
7EW75J44EY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-748730
Common Name English
N-(2-CHLORO-4-HYDROXY-6-METHYL-PHENYL)-2-((6-(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE
Systematic Name English
DASATINIB METABOLITE M20
Common Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-4-HYDROXY-6-METHYLPHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
EPA CompTox
910297-57-3
Created by admin on Fri Jun 25 23:05:17 UTC 2021 , Edited by admin on Fri Jun 25 23:05:17 UTC 2021
PRIMARY
PUBCHEM
11854533
Created by admin on Fri Jun 25 23:05:17 UTC 2021 , Edited by admin on Fri Jun 25 23:05:17 UTC 2021
PRIMARY
CAS
910297-57-3
Created by admin on Fri Jun 25 23:05:17 UTC 2021 , Edited by admin on Fri Jun 25 23:05:17 UTC 2021
PRIMARY
FDA UNII
7EW75J44EY
Created by admin on Fri Jun 25 23:05:17 UTC 2021 , Edited by admin on Fri Jun 25 23:05:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE