Basic information
- CAS
19877-89-5- Standard SMILES
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@H](O)C1)[C@@H]32- InChIKey
HONLKDDLTAZVQV-QRQLOZEOSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Names & identifiers
- Preferred name
- (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
- IUPAC
- (15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
- English name
- vincanol
- Molecular formula
- C19H24N2O
- Molecular weight
- 296.412
Names & synonyms
orb1701485AKOS040747573HY-124925CS-0089580T26319vincanolVincanolum(3α,14α,16α)-14,15-Dihydroeburnamenin-14-olEburnamenin-14-ol, 14,15-dihydro-, (3α,14β,16α)-
Database identifiers
- CAS
19877-89-5- PubChem CID
- 65694
- Nikkaji
- J2.328.139B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 484.4 · 484.4±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.40(Predicted)
- FDA UNII
- 6 H6JXC52ME · 6H6JXC52ME
Chemistry & industry
Applications
UsesVincanol ((-)-Isoeburnamine) is a blocker of voltage-gated Na+ channels. Vincanol blocks Na+ currents with an IC50 value of 40 μM. Vincanol has neuroprotective effect[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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