92522-87-7
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular Identity
92522-87-7
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID: 122707132
2D Structure
Properties
C38H48N2O5
Molecular Formula
612.80
Molecular Weight
g/mol
612.3563
Exact Mass
Da
93.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
92522-87-7RefChem:1092238Talwin NxNaloxone / pentazocineNaloxone-pentazocine mixt.Pentazocine - naloxone mixt.DEA No. 9709Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5alpha)-, mixt. with (2alpha,6alpha,11R*)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol
Data from PubChem (NCBI)
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