2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-8-methoxy-6-methyl-3-phenethyl-, hydrobromide

HCID 3048024

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Basic information

CAS: 63870-09-7
Standard SMILES: Br.COc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H](C2)[C@H]1O
InChIKey: XCJGPAATYPPABM-JDCPXUKWSA-N
Molecular formula: C22H28BrNO2
Average molar mass: 418.4 g/mol
Monoisotopic mass: 417.13034

Names & identifiers

Preferred name: 2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-8-methoxy-6-methyl-3-phenethyl-, hydrobromide
IUPAC: (1S,9S,13S)-4-methoxy-1-methyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ol;hydrobromide

Names & synonyms

63870-09-72,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-8-methoxy-6-methyl-3-phenethyl-, hydrobromideRefChem:1060297alpha-9-Hydroxy-5-methyl-2(N)-phenethyl-6,7-benzomorphan hydrobromideDTXSID70980648(2S,6S,11S)-8-Methoxy-6-methyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-ol--hydrogen bromide (1/1)8-Methoxy-6-methyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-ol--hydrogen bromide (1/1)

Database identifiers

CAS: 63870-09-7
PubChem CID: 3048024
DTXSID: DTXSID70980648

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 449

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