6-((5-CHLORO-4-((2-(ISOPROPYLSULFONYL)PHENYL)AMINO)PYRIMIDIN-2-YL)AMINO)-2-MERCAPTO-4-METHYL-3-(PIPERIDIN-4-YL)PHENOL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H30ClN5O3S2
Molecular Weight	548.12
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

Structure Search

SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(NC3=CC(C)=C(C4CCNCC4)C(S)=C3O)=NC=C2Cl

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	548.12
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 `Wed Apr 02 13:47:11 GMT 2025` Edited by `admin` on `Wed Apr 02 13:47:11 GMT 2025`
Record UNII	96MQ078Z27
Record Status	`Validated (UNII)`
Record Version

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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

Preferred Name

English

Code System Code Type Description

PUBCHEM

122201228

Created by admin on Wed Apr 02 13:47:11 GMT 2025 , Edited by admin on Wed Apr 02 13:47:11 GMT 2025

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FDA UNII

96MQ078Z27

Created by admin on Wed Apr 02 13:47:11 GMT 2025 , Edited by admin on Wed Apr 02 13:47:11 GMT 2025

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Related Record Type Details


					K418KG2GET

CERITINIB

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

FECAL

Amount: