Cinchophyllamine
Basic information
- CAS
10438-16-1- Standard SMILES
C=C[C@H]1CN2CCc3c([nH]c4ccc(OC)cc34)[C@H]2C[C@H]1C[C@H]1NCCc2c1[nH]c1ccc(OC)cc21- InChIKey
MKRBLBZRPCFROB-IUSJDPGBSA-N- Molecular formula
- C31H36N4O2
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.2838264
Names & identifiers
- Preferred name
- Cinchophyllamine
- IUPAC
- (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
- English name
- (3β)-18,19-Didehydro-10-methoxy-16-[(R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]-17-norcorynan
- Molecular formula
- C31H36N4O2
- Molecular weight
- 496.64
Names & synonyms
Cinchophyllamine3-beta,17-beta-Cinchophylline10438-16-117-Norcorynan, 18,19-didehydro-10-methoxy-16-(2,3,4,9-tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-yl)-, (3-beta,16(R))-RefChem:334150(2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine(2R,3R,12bR)-3-Ethenyl-9-methoxy-2-{[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizineDTXSID90908945(3beta)-18,19-Didehydro-10-methoxy-16-[(R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]-17-(3beta)-18,19-Didehydro-10-methoxy-16-[(R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]-17-norcorynan3-ethenyl-9-methoxy-2-[(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine(3β)-18,19-Didehydro-10-methoxy-16-[(R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]-17-norcorynan
Show more names
Indolo[2,3-a]quinolizine, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-9-methoxy-2-[[(1R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]methyl]-, (2R,3R,12bR)- (9CI)
Database identifiers
- CAS
10438-16-1- PubChem CID
- 165871
- DTXSID
DTXSID90908945
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 825
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 709.3 · 709.3±60.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 17.44 · 17.44±0.40(Predicted)
Chemistry & industry
Applications
DescriptionThe empirical formula of cinchophyllamine should read C31H36N204. The specific rotation has been reported as [α]D30 + 23° (c 0.4, CHCI3).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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