Morphinan-3-ol, 17-(2-(cyclohexenyl)ethyl)-, hydrochloride, (-)-

HCID 5486089

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Basic information

CAS: 63732-54-7
Standard SMILES: Cl.Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCC1=CCCCC1)CC3
InChIKey: TXVGQCHMEAUKDG-YGICXTQQSA-N
Molecular formula: C24H34ClNO
Average molar mass: 388 g/mol
Monoisotopic mass: 387.2328924

Names & identifiers

Preferred name: Morphinan-3-ol, 17-(2-(cyclohexenyl)ethyl)-, hydrochloride, (-)-
IUPAC: (1R,9R,10R)-17-[2-(cyclohexen-1-yl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride

Names & synonyms

(-)-17-(2-(Cyclohexenyl)ethyl)morphinan-3-ol hydrochloride63732-54-7Morphinan-3-ol, 17-(2-(cyclohexenyl)ethyl)-, hydrochloride, (-)-RefChem:357421DTXSID5098022217-[2-(Cyclohex-1-en-1-yl)ethyl]morphinan-3-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 63732-54-7
PubChem CID: 5486089
DTXSID: DTXSID50980222

Properties

Computed structural properties

Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 542

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