Morphinan-3-ol, 17-(alpha-hydroxybenzyl)methyl-, hydrochloride, (-)-
Basic information
- CAS
63732-86-5- Standard SMILES
Cl.Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC(O)c1ccccc1)CC3- InChIKey
GKDHNCOWIDRBOR-LSHSPPPCSA-N- Molecular formula
- C24H30ClNO2
- Average molar mass
- 400 g/mol
- Monoisotopic mass
- 399.1965069
Names & identifiers
- Preferred name
- Morphinan-3-ol, 17-(alpha-hydroxybenzyl)methyl-, hydrochloride, (-)-
- IUPAC
- (1R,9R,10R)-17-(2-hydroxy-2-phenylethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;hydrochloride
Names & synonyms
Morphinan-3-ol, 17-(alpha-hydroxybenzyl)methyl-, hydrochloride, (-)-63732-86-5RefChem:1089880Morphinan-3-ol, 17-(2-hydroxy-2-phenyl)ethyl-, hydrochloride, (-)-DTXSID6098023817-(2-Hydroxy-2-phenylethyl)morphinan-3-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
63732-86-5- PubChem CID
- 5486017
- DTXSID
DTXSID60980238
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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