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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18FN3O3
Molecular Weight 331.3415
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments MIXTURE OF SYN AND ANTI

SHOW SMILES / InChI
Structure of N-nitroso-safinamide

SMILES

C[C@H](N(CC1=CC=C(OCC2=CC=CC(F)=C2)C=C1)N=O)C(N)=O

InChI

InChIKey=NHMOTQHRSJIDDY-LBPRGKRZSA-N
InChI=1S/C17H18FN3O3/c1-12(17(19)22)21(20-23)10-13-5-7-16(8-6-13)24-11-14-3-2-4-15(18)9-14/h2-9,12H,10-11H2,1H3,(H2,19,22)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18FN3O3
Molecular Weight 331.3415
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 Sat Dec 16 18:22:39 UTC 2023
Edited
by admin
on Sat Dec 16 18:22:39 UTC 2023
Record UNII
9327M5JUG5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-safinamide
Common Name English
(2S)-2-(((4-((3-FLUOROPHENYL)METHOXY)PHENYL)METHYL)(NITROSO)AMINO)PROPANAMIDE
Systematic Name English
N-NITROSO SAFINAMIDE
Common Name English
SAFINAMIDE , N-NITROSO
Common Name English
Code System Code Type Description
FDA UNII
9327M5JUG5
Created by admin on Sat Dec 16 18:22:39 UTC 2023 , Edited by admin on Sat Dec 16 18:22:39 UTC 2023
PRIMARY
PUBCHEM
156772314
Created by admin on Sat Dec 16 18:22:39 UTC 2023 , Edited by admin on Sat Dec 16 18:22:39 UTC 2023
PRIMARY
CAS
2657645-00-4
Created by admin on Sat Dec 16 18:22:39 UTC 2023 , Edited by admin on Sat Dec 16 18:22:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT->IMPURITY GENOTOXIC