U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C22H26ClN7O2S.C3H8O2
Molecular Weight 564.1
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DASATINIB PROPYLENE GLYCOLATE

SMILES

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

InChI

InChIKey=YMMMGNIZXYNLTO-UHFFFAOYSA-N
InChI=1S/C22H26ClN7O2S.C3H8O2/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;1-3(5)2-4/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);3-5H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C3H8O2
Molecular Weight 76.0944
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C22H26ClN7O2S
Molecular Weight 488.006
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 Fri Jul 07 00:14:16 UTC 2023
Edited
by admin
on Fri Jul 07 00:14:16 UTC 2023
Record UNII
RK4TYG2QQ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DASATINIB PROPYLENE GLYCOLATE
Common Name English
5-THIAZOLECARBOXAMIDE, N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-2-METHYL-4-PYRIMIDINYL)AMINO)-, COMPD. WITH 1,2-PROPANEDIOL (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
155173048
Created by admin on Fri Jul 07 00:14:17 UTC 2023 , Edited by admin on Fri Jul 07 00:14:17 UTC 2023
PRIMARY
FDA UNII
RK4TYG2QQ4
Created by admin on Fri Jul 07 00:14:17 UTC 2023 , Edited by admin on Fri Jul 07 00:14:17 UTC 2023
PRIMARY
CAS
2059090-84-3
Created by admin on Fri Jul 07 00:14:17 UTC 2023 , Edited by admin on Fri Jul 07 00:14:17 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE