2-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-4-METHYL-5-(PIPERIDIN-4-YL)PHENOL

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

Structure Search

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

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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


					K418KG2GET

CERITINIB

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

FECAL; PLASMA