Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-methyl-, [(5alpha)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-ylidene]hydrazone, (5alpha)-

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Basic information

CAS: 82824-00-8
Standard SMILES: CN1CCC23c4c5ccc(O)c4OC2/C(=N/N=C2\CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6C)C2O8)CCC3(O)C1C5
InChIKey: WKXKOQQVFYOJBC-CQFWSYKGSA-N
Molecular formula: C34H38N4O6
Average molar mass: 598.7 g/mol
Monoisotopic mass: 598.27913494

Names & identifiers

Preferred name: Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-methyl-, [(5alpha)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-ylidene]hydrazone, (5alpha)-
IUPAC: (7E)-7-[(E)-(4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Names & synonyms

NSC612111(E)-[(E)-[dihydroxy(methyl)[?]ylidene]hydrazono]-methyl-[?]diol(7E)-7-[(E)-(4a,9-Dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diolMorphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-methyl-, [(5.alpha.)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-ylidene]hydrazone, (5.alpha.)-

Database identifiers

CAS: 82824-00-8
PubChem CID: 9568073

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 131 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 10
Rotatable bonds: 1
Heavy atoms: 44
Formal charge: 0
Complexity: 1,230

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Compound notes

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