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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H16ClN7O2
Molecular Weight 445.861
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-duvelisib

SMILES

C[C@H](N(N=O)C1=NC=NC2=C1N=CN2)C3=CC4=C(C(Cl)=CC=C4)C(=O)N3C5=CC=CC=C5

InChI

InChIKey=NXPRHRKZISAQEW-ZDUSSCGKSA-N
InChI=1S/C22H16ClN7O2/c1-13(30(28-32)21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(31)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,25,26,27)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H16ClN7O2
Molecular Weight 445.861
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:19:43 GMT 2025
Edited
by admin
on Wed Apr 02 18:19:43 GMT 2025
Record UNII
955FT4LCF7
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-duvelisib
Preferred Name English
Code System Code Type Description
FDA UNII
955FT4LCF7
Created by admin on Wed Apr 02 18:19:43 GMT 2025 , Edited by admin on Wed Apr 02 18:19:43 GMT 2025
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