Dezocine
(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
Molecular Identity
Dezocine
(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
PubChem CID: 3033053
Dezocine is (7S,8S)-7-Amino-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogen at position 8 and one of the hydrogens at position 6 are substituted by each end of a tetramethylene bridge. A synthetic opioid analgesic, it has mixed opiod agonist and antagonist properties. Although it is used for pain management, it can produce opioid withdrawal syndrome in patients already dependent on other opioids, and its clinical application is limited by side effects such as dizziness. It has a role as an opioid analgesic. It is a member of phenols and a primary amino compound.
2D Structure
Properties
C16H23NO
Molecular Formula
245.36
Molecular Weight
g/mol
245.1780
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
46.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
305
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCCCCC(C1N)CC3=C2C=C(C=C3)OIsomeric SMILES
SMILES: C[C@]12CCCCC[C@H]([C@@H]1N)CC3=C2C=C(C=C3)OSynonyms(20)
DEZOCINEDalgan53648-55-8DezocinaDezocinumDocozineDozocineWy-16225VHX8K5SV4XWy-16,225CHEBI:4474(-)-13beta-Amino-5,6,7,8,9,10,11alpha,12-octahydro-5alpha-methyl-5,11-methanobenzocyclodecen-3-olDTXSID202291113-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecenol(-5alpha, 11alpha,13s)-13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3-ol
Data from PubChem (NCBI)
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Drug Network
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