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Details

Stereochemistry ACHIRAL
Molecular Formula C29H26ClN7O4
Molecular Weight 572.014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-neratinib

SMILES

CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)N=O)C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=N2)C#N

InChI

InChIKey=CFKCEZQMDLWFGH-SOFGYWHQSA-N
InChI=1S/C29H26ClN7O4/c1-3-40-27-15-24-22(14-25(27)35-28(38)8-6-12-37(2)36-39)29(19(16-31)17-33-24)34-20-9-10-26(23(30)13-20)41-18-21-7-4-5-11-32-21/h4-11,13-15,17H,3,12,18H2,1-2H3,(H,33,34)(H,35,38)/b8-6+

HIDE SMILES / InChI

Molecular Formula C29H26ClN7O4
Molecular Weight 572.014
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 18:40:27 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:27 GMT 2025
Record UNII
8WV9BMZ2FL
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-neratinib
Common Name English
2-Butenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(methylnitrosoamino)-, (2E)-
Preferred Name English
Code System Code Type Description
CAS
3050754-68-9
Created by admin on Wed Apr 02 18:40:27 GMT 2025 , Edited by admin on Wed Apr 02 18:40:27 GMT 2025
PRIMARY
FDA UNII
8WV9BMZ2FL
Created by admin on Wed Apr 02 18:40:27 GMT 2025 , Edited by admin on Wed Apr 02 18:40:27 GMT 2025
PRIMARY
Related Record Type Details
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