Morphinan, 17-(3,4-dimethoxyphenethyl)-3-methoxy-, (-)-
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Basic information
- CAS
63690-30-2- Standard SMILES
COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCc1ccc(OC)c(OC)c1)CC3- InChIKey
XMRKEVYDRNKBOR-CAKYRVLISA-N- Molecular formula
- C27H35NO3
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.26169398
Names & identifiers
- Preferred name
- Morphinan, 17-(3,4-dimethoxyphenethyl)-3-methoxy-, (-)-
- IUPAC
- (1R,9R,10R)-17-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
- English name
- 17-(3,4-Dimethoxyphenethyl)-3-methoxymorphinan
- Molecular formula
- C27H35NO3
- Molecular weight
- 421.57
Names & synonyms
BRN 005761763690-30-2(-)-17-(3,4-Dimethoxyphenethyl)-3-methoxymorphinanMorphinan, 17-(3,4-dimethoxyphenethyl)-3-methoxy-, (-)-4-21-00-01379 (Beilstein Handbook Reference)RefChem:35739917-(3,4-Dimethoxyphenethyl)-3-methoxymorphinanDTXSID10979995DB-29131417-[2-(3,4-Dimethoxyphenyl)ethyl]-3-methoxymorphinanMorphinan, 17-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxy- (9CI)
Database identifiers
- CAS
63690-30-2- PubChem CID
- 5486035
- DTXSID
DTXSID10979995- Nikkaji
- J64.743H
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
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Compound notes
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