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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O3
Molecular Weight 354.4427
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)N=O)C2=CC=CC=C2

InChI

InChIKey=CMDWPCRPEMOBTC-UTKZUKDTSA-N
InChI=1S/C21H26N2O3/c1-4-20(24)26-21(17(2)16-23(3)22-25,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17H,4,15-16H2,1-3H3/t17-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26N2O3
Molecular Weight 354.4427
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:25:03 GMT 2025
Edited
by admin
on Wed Apr 02 18:25:03 GMT 2025
Record UNII
FQD5SXF6QN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzeneethanol, ?-[1-methyl-2-(methylnitrosoamino)ethyl]-?-phenyl-, propanoate (ester), [S-(R*,S*)]-
Preferred Name English
N-nitroso-desmethyl-propoxyphene
Common Name English
Code System Code Type Description
PUBCHEM
171390051
Created by admin on Wed Apr 02 18:25:03 GMT 2025 , Edited by admin on Wed Apr 02 18:25:03 GMT 2025
PRIMARY
FDA UNII
FQD5SXF6QN
Created by admin on Wed Apr 02 18:25:03 GMT 2025 , Edited by admin on Wed Apr 02 18:25:03 GMT 2025
PRIMARY
CAS
55855-49-7
Created by admin on Wed Apr 02 18:25:03 GMT 2025 , Edited by admin on Wed Apr 02 18:25:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY