Opioids
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular Identity
Opioids
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;ethyl 1-methyl-4-phenylpiperidine-4-carboxylate;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID: 126961754
2D Structure
Properties
C55H70N4O7
Molecular Formula
899.20
Molecular Weight
g/mol
898.5245
Exact Mass
Da
112
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1220
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)OIsomeric SMILES
SMILES: CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OSynonyms(7)
OpioidsRefChem:856804OpioidOpioid AnalgesicsAnalgesics, OpioidOpioid AbuseS900007660
Data from PubChem (NCBI)
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