N-nitroso-neratinib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H28ClN7O4
Molecular Weight	586.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(N(N=O)C3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=N2)C#N

InChI

InChIKey=MYMYYCBBSZXUFL-VQHVLOKHSA-N

InChI=1S/C30H28ClN7O4/c1-4-41-28-16-25-23(15-26(28)35-29(39)9-7-13-37(2)3)30(20(17-32)18-34-25)38(36-40)22-10-11-27(24(31)14-22)42-19-21-8-5-6-12-33-21/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,39)/b9-7+

HIDE SMILES / InChI

Molecular Formula	C30H28ClN7O4
Molecular Weight	586.041
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:48:30 GMT 2025` Edited by `admin` on `Wed Apr 02 18:48:30 GMT 2025`
Record UNII	FEA28L9WBE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-nitroso-neratinib

Preferred Name

English

Code System Code Type Description

FDA UNII

FEA28L9WBE

Created by admin on Wed Apr 02 18:48:30 GMT 2025 , Edited by admin on Wed Apr 02 18:48:30 GMT 2025

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