N-(4-METHOXY-2-(METHYLAMINO)-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H24N6O2
Molecular Weight	428.4864
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-METHOXY-2-(METHYLAMINO)-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE

Structure Search

SMILES

CNC1=CC(OC)=C(NC2=NC=CC(=N2)C3=CN(C)C4=CC=CC=C34)C=C1NC(=O)C=C

InChI

InChIKey=MXOAYBHVDKUSDI-UHFFFAOYSA-N

InChI=1S/C24H24N6O2/c1-5-23(31)27-19-12-20(22(32-4)13-18(19)25-2)29-24-26-11-10-17(28-24)16-14-30(3)21-9-7-6-8-15(16)21/h5-14,25H,1H2,2-4H3,(H,27,31)(H,26,28,29)

HIDE SMILES / InChI

Molecular Formula	C24H24N6O2
Molecular Weight	428.4864
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 Dec 16 15:32:32 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:32 GMT 2023`
Record UNII	BCQ0XF3C37
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(4-METHOXY-2-(METHYLAMINO)-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE

Systematic Name

English

OSIMERTINIB METABOLITE M2

Common Name

English

Code System Code Type Description

PUBCHEM

145022764

Created by admin on Sat Dec 16 15:32:32 GMT 2023 , Edited by admin on Sat Dec 16 15:32:32 GMT 2023

PRIMARY

FDA UNII

BCQ0XF3C37

Created by admin on Sat Dec 16 15:32:32 GMT 2023 , Edited by admin on Sat Dec 16 15:32:32 GMT 2023

PRIMARY

Related Record Type Details


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OSIMERTINIB

PARENT -> METABOLITE

Comments:

This metabolite was detected in human hepatocytes.

Amount: