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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-METHYL-PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-PIPERAZIN-4-IUM-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE

SMILES

Cc1cccc(c1N=C(c2cnc(Nc3cc(nc(C)n3)N4CCN(=O)(CC4)CCO)s2)O)Cl

InChI

InChIKey=UEFNEEZCTQCRAW-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H26ClN7O3S
Molecular Weight 504.0068
Charge 0
Count
Stereochemistry RACEMIC
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 02:34:57 UTC 2021
Edited
by admin
on Sat Jun 26 02:34:57 UTC 2021
Record UNII
B16WQA6880
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLORO-6-METHYL-PHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-PIPERAZIN-4-IUM-1-YL)-2-METHYL-PYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE
Systematic Name English
BMS-606181
Code English
DASATINIB METABOLITE M5
Common Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-HYDROXYETHYL)-4-OXIDO-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
B16WQA6880
Created by admin on Sat Jun 26 02:34:57 UTC 2021 , Edited by admin on Sat Jun 26 02:34:57 UTC 2021
PRIMARY
CAS
910297-52-8
Created by admin on Sat Jun 26 02:34:57 UTC 2021 , Edited by admin on Sat Jun 26 02:34:57 UTC 2021
PRIMARY
PUBCHEM
11854535
Created by admin on Sat Jun 26 02:34:57 UTC 2021 , Edited by admin on Sat Jun 26 02:34:57 UTC 2021
PRIMARY
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