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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 N-(2-CHLORO-6-(HYDROXYMETHYL)PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-5-THIAZOLECARBOXAMIDE

SMILES

Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(C(=Nc4c(cccc4Cl)CO)O)s3

InChI

InChIKey=KZNOWBHQESWSTD-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O3S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(34-22)21(33)28-20-15(13-32)3-2-4-16(20)23/h2-4,11-12,31-32H,5-10,13H2,1H3,(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 Sat Jun 26 09:11:34 UTC 2021
Edited
by admin
on Sat Jun 26 09:11:34 UTC 2021
Record UNII
O4S6Z9X0XS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLORO-6-(HYDROXYMETHYL)PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-5-THIAZOLECARBOXAMIDE
Systematic Name English
DASATINIB METABOLITE M24
Common Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-(HYDROXYMETHYL)PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
BMS-749426
Code English
N-(2-CHLORO-6-(HYDROXYMETHYL)PHENYL)-2-((6-(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
O4S6Z9X0XS
Created by admin on Sat Jun 26 09:11:34 UTC 2021 , Edited by admin on Sat Jun 26 09:11:34 UTC 2021
PRIMARY
PUBCHEM
11854534
Created by admin on Sat Jun 26 09:11:34 UTC 2021 , Edited by admin on Sat Jun 26 09:11:34 UTC 2021
PRIMARY
EPA CompTox
910297-58-4
Created by admin on Sat Jun 26 09:11:34 UTC 2021 , Edited by admin on Sat Jun 26 09:11:34 UTC 2021
PRIMARY
CAS
910297-58-4
Created by admin on Sat Jun 26 09:11:34 UTC 2021 , Edited by admin on Sat Jun 26 09:11:34 UTC 2021
PRIMARY
Related Record Type Details
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