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Details

Stereochemistry ACHIRAL
Molecular Formula C22H25ClFN7OS
Molecular Weight 489.997
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUORO-DASATINIB

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCF)CC4

InChI

InChIKey=PLZOWXHKTJJSQR-UHFFFAOYSA-N
InChI=1S/C22H25ClFN7OS/c1-14-4-3-5-16(23)20(14)29-21(32)17-13-25-22(33-17)28-18-12-19(27-15(2)26-18)31-10-8-30(7-6-24)9-11-31/h3-5,12-13H,6-11H2,1-2H3,(H,29,32)(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C22H25ClFN7OS
Molecular Weight 489.997
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 Dec 16 14:42:39 UTC 2023
Edited
by admin
on Sat Dec 16 14:42:39 UTC 2023
Record UNII
FMQ8L442D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUORO-DASATINIB
Common Name English
SKI-249380
Code English
N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-FLUOROETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-5-THIAZOLECARBOXAMIDE
Systematic Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-FLUOROETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
FMQ8L442D7
Created by admin on Sat Dec 16 14:42:39 UTC 2023 , Edited by admin on Sat Dec 16 14:42:39 UTC 2023
PRIMARY
PUBCHEM
23657441
Created by admin on Sat Dec 16 14:42:39 UTC 2023 , Edited by admin on Sat Dec 16 14:42:39 UTC 2023
PRIMARY
CAS
957218-02-9
Created by admin on Sat Dec 16 14:42:39 UTC 2023 , Edited by admin on Sat Dec 16 14:42:39 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED