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Details

Stereochemistry ACHIRAL
Molecular Formula C31H32N6O5
Molecular Weight 568.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-nintedanib

SMILES

COC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\N(N=O)C3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5

InChI

InChIKey=ABIVFQLZFKBNAN-ZIADKAODSA-N
InChI=1S/C31H32N6O5/c1-34-15-17-36(18-16-34)20-27(38)35(2)23-10-12-24(13-11-23)37(33-41)29(21-7-5-4-6-8-21)28-25-14-9-22(31(40)42-3)19-26(25)32-30(28)39/h4-14,19H,15-18,20H2,1-3H3,(H,32,39)/b29-28-

HIDE SMILES / InChI

Molecular Formula C31H32N6O5
Molecular Weight 568.623
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 18:39:57 GMT 2025
Edited
by admin
on Wed Apr 02 18:39:57 GMT 2025
Record UNII
BF4CNJ6BG9
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-nintedanib
Preferred Name English
Code System Code Type Description
FDA UNII
BF4CNJ6BG9
Created by admin on Wed Apr 02 18:39:57 GMT 2025 , Edited by admin on Wed Apr 02 18:39:57 GMT 2025
PRIMARY
PUBCHEM
168441179
Created by admin on Wed Apr 02 18:39:57 GMT 2025 , Edited by admin on Wed Apr 02 18:39:57 GMT 2025
PRIMARY
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