Morphinan-3-ol, 17-allyl-, dimethylcarbamate (ester), hydrobromide

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Basic information

CAS: 63732-39-8
Standard SMILES: Br.C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)N(C)C)cc13
InChIKey: KIPHMBBVOUZELO-BHRDPBMWSA-N
Molecular formula: C22H31BrN2O2
Average molar mass: 435.4 g/mol
Monoisotopic mass: 434.15689

Names & identifiers

Preferred name: Morphinan-3-ol, 17-allyl-, dimethylcarbamate (ester), hydrobromide
IUPAC: [(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] N,N-dimethylcarbamate;hydrobromide

Names & synonyms

63732-39-8Morphinan-3-ol, 17-allyl-, dimethylcarbamate (ester), hydrobromideRefChem:108988117-Allylmorphinan-3-ol dimethylcarbamate (ester) hydrobromideDTXSID6098021317-(Prop-2-en-1-yl)morphinan-3-yl dimethylcarbamate--hydrogen bromide (1/1)

Database identifiers

CAS: 63732-39-8
PubChem CID: 5486074
DTXSID: DTXSID60980213

Properties

Computed structural properties

Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 548

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Compound notes

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