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Basic information
- CAS
468-22-4- Standard SMILES
COC1C=C[C@@]23CCN(Cc4cc5c(cc42)OCO5)[C@@H]3C1- InChIKey
HATSAIPBKRRCME-RIJFORKLSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.343 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- Buphanisine
- IUPAC
- (5xi)-3-Methoxy-1,2-didehydrocrinan
- English name
- Epibuphanisine
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
BuphanisineBuphanisinEpibuphanisine1,2-Didehydro-3α-methoxycrinan(3R)-3α-Methoxy-5β,11bβ-ethano-3,4,4aα,5,6,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridine3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine, 4,4a-dihydro-3-methoxy-, (3R,4aR,5S,11bS)-
Database identifiers
- CAS
468-22-4- PubChem CID
- 338024
- DTXSID
DTXSID90320365- ChEMBL
CHEMBL6067651
Properties
Physicochemical properties
- Melting point
- 122 · 122-124 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 417.1 · 417.1±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.26 · 7.26±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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