AZ-7550

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H31N7O2
Molecular Weight	485.5807
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNCCN(C)C1=CC(OC)=C(NC2=NC=CC(=N2)C3=CN(C)C4=CC=CC=C34)C=C1NC(=O)C=C

InChI

InChIKey=ZROCWKZRGJYPTG-UHFFFAOYSA-N

InChI=1S/C27H31N7O2/c1-6-26(35)30-21-15-22(25(36-5)16-24(21)33(3)14-13-28-2)32-27-29-12-11-20(31-27)19-17-34(4)23-10-8-7-9-18(19)23/h6-12,15-17,28H,1,13-14H2,2-5H3,(H,30,35)(H,29,31,32)

HIDE SMILES / InChI

Molecular Formula	C27H31N7O2
Molecular Weight	485.5807
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 14:34:31 UTC 2023` Edited by `admin` on `Sat Dec 16 14:34:31 UTC 2023`
Record UNII	NI2ZUZ6F4O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AZ-7550

Code

English

OSIMERTINIB METABOLITE M3

Common Name

English

N-(4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-2-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)PHENYL)-2-PROPENAMIDE

Systematic Name

English

AZ7550

Code

English

2-PROPENAMIDE, N-(4-METHOXY-5-((4-(1-METHYL-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)-2-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)PHENYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID301104157

Created by admin on Sat Dec 16 14:34:31 UTC 2023 , Edited by admin on Sat Dec 16 14:34:31 UTC 2023

PRIMARY

FDA UNII

NI2ZUZ6F4O

Created by admin on Sat Dec 16 14:34:31 UTC 2023 , Edited by admin on Sat Dec 16 14:34:31 UTC 2023

PRIMARY

CAS

1421373-99-0

Created by admin on Sat Dec 16 14:34:31 UTC 2023 , Edited by admin on Sat Dec 16 14:34:31 UTC 2023

PRIMARY

PUBCHEM

71496459

Created by admin on Sat Dec 16 14:34:31 UTC 2023 , Edited by admin on Sat Dec 16 14:34:31 UTC 2023

PRIMARY

Related Record Type Details


					3C06JJ0Z2O

OSIMERTINIB

PARENT -> METABOLITE ACTIVE

Qualification:

PLASMA

Amount:


					3C06JJ0Z2O

OSIMERTINIB

PARENT -> METABOLITE ACTIVE

Qualification:

FECAL; URINE

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC