Morphinan, 17-(p-nitrophenethyl)-, hydrochloride, (+-)-
Basic information
- CAS
63732-38-7- Standard SMILES
Cl.O=[N+]([O-])c1ccc(CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccccc24)cc1- InChIKey
ZYFPOJDYNPQXHJ-ZPMIJRNTSA-N- Molecular formula
- C24H29ClN2O2
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1917559
Names & identifiers
- Preferred name
- Morphinan, 17-(p-nitrophenethyl)-, hydrochloride, (+-)-
- IUPAC
- (1R,9R,10R)-17-[2-(4-nitrophenyl)ethyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrochloride
Names & synonyms
(+-)-17-(p-Nitrophenethyl)morphinan hydrochloride63732-38-7Morphinan, 17-(p-nitrophenethyl)-, hydrochloride, (+-)-RefChem:357400DTXSID0098021217-[2-(4-Nitrophenyl)ethyl]morphinan--hydrogen chloride (1/1)
Database identifiers
- CAS
63732-38-7- PubChem CID
- 5486072
- DTXSID
DTXSID00980212
Properties
Computed structural properties
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
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Compound notes
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