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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26ClN7O2S.C3H8O2
Molecular Weight 564.1
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DASATINIB (S)-PROPYLENE GLYCOLATE

SMILES

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

InChI

InChIKey=YMMMGNIZXYNLTO-HVDRVSQOSA-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/t;3-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C3H8O2
Molecular Weight 76.0944
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 00:07:01 UTC 2023
Edited
by admin
on Fri Jul 07 00:07:01 UTC 2023
Record UNII
VN6AX4RHX4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DASATINIB (S)-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 (2S)-1,2-PROPANEDIOL (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
VN6AX4RHX4
Created by admin on Fri Jul 07 00:07:02 UTC 2023 , Edited by admin on Fri Jul 07 00:07:02 UTC 2023
PRIMARY
SMS_ID
300000008023
Created by admin on Fri Jul 07 00:07:02 UTC 2023 , Edited by admin on Fri Jul 07 00:07:02 UTC 2023
PRIMARY
PUBCHEM
162623573
Created by admin on Fri Jul 07 00:07:02 UTC 2023 , Edited by admin on Fri Jul 07 00:07:02 UTC 2023
PRIMARY
CAS
2499751-67-4
Created by admin on Fri Jul 07 00:07:02 UTC 2023 , Edited by admin on Fri Jul 07 00:07:02 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE