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Details

Stereochemistry ACHIRAL
Molecular Formula C25H30ClN5O3S
Molecular Weight 516.0574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(C)S(=O)(=O)c1ccccc1N=c2c(cnc(Nc3cc(C)c(cc3O)C4CCNCC4)[nH]2)Cl

InChI

InChIKey=OFSMKAKRYIPROD-UHFFFAOYSA-N
InChI=1S/C25H30ClN5O3S/c1-15(2)35(33,34)23-7-5-4-6-20(23)29-24-19(26)14-28-25(31-24)30-21-12-16(3)18(13-22(21)32)17-8-10-27-11-9-17/h4-7,12-15,17,27,32H,8-11H2,1-3H3,(H2,28,29,30,31)

HIDE SMILES / InChI

Molecular Formula C25H30ClN5O3S
Molecular Weight 516.0574
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 06:46:53 UTC 2021
Edited
by admin
on Sat Jun 26 06:46:53 UTC 2021
Record UNII
3Z0UX41907
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-4-METHYL-5-(PIPERIDIN-4-YL)PHENOL
Systematic Name English
CERITINIB METABOLITE M32.9
Common Name English
Code System Code Type Description
PUBCHEM
122201200
Created by admin on Sat Jun 26 06:46:53 UTC 2021 , Edited by admin on Sat Jun 26 06:46:53 UTC 2021
PRIMARY
FDA UNII
3Z0UX41907
Created by admin on Sat Jun 26 06:46:53 UTC 2021 , Edited by admin on Sat Jun 26 06:46:53 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN-VIVO
FECAL; PLASMA