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Details

Stereochemistry ACHIRAL
Molecular Formula C25H30ClN5O3S2
Molecular Weight 548.1235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-2-MERCAPTO-4-METHYL-3-(PIPERIDIN-4-YL)PHENOL

SMILES

CC(C)S(=O)(=O)c1ccccc1N=c2c(cnc(Nc3cc(C)c(C4CCNCC4)c(c3O)S)[nH]2)Cl

InChI

InChIKey=SRZKKBXBIZUQIH-UHFFFAOYSA-N
InChI=1S/C25H30ClN5O3S2/c1-14(2)36(33,34)20-7-5-4-6-18(20)29-24-17(26)13-28-25(31-24)30-19-12-15(3)21(23(35)22(19)32)16-8-10-27-11-9-16/h4-7,12-14,16,27,32,35H,8-11H2,1-3H3,(H2,28,29,30,31)

HIDE SMILES / InChI

Molecular Formula C25H30ClN5O3S2
Molecular Weight 548.1235
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 Jun 26 03:07:44 UTC 2021
Edited
by admin
on Sat Jun 26 03:07:44 UTC 2021
Record UNII
96MQ078Z27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-2-MERCAPTO-4-METHYL-3-(PIPERIDIN-4-YL)PHENOL
Systematic Name English
CERITINIB METABOLITE M30.4
Common Name English
Code System Code Type Description
PUBCHEM
122201228
Created by admin on Sat Jun 26 03:07:44 UTC 2021 , Edited by admin on Sat Jun 26 03:07:44 UTC 2021
PRIMARY
FDA UNII
96MQ078Z27
Created by admin on Sat Jun 26 03:07:44 UTC 2021 , Edited by admin on Sat Jun 26 03:07:44 UTC 2021
PRIMARY
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