Molecular Identity
nefopam
5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
PubChem CID: 4450
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a tertiary amino compound and a benzoxazocine.
2D Structure
Properties
C17H19NO
Molecular Formula
253.34
Molecular Weight
g/mol
253.1467
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
12.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
274
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
nefopam13669-70-0FenazoxineNefopamum1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-4UP8060B7JDTXSID20485353,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocinNefopam, SilentanRefChem:832138DTXCID8028002CHEBI:88316N02BG061H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-(8CI,9CI)237-148-2
Data from PubChem (NCBI)
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