Basic information
- CAS
68779-67-9- Standard SMILES
O[C@@H]1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@H]23- InChIKey
KOIGYXJOGRVNIS-LYRGGWFBSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Overview
eburnamine derivative; RN given refers to (3alpha,14beta)-(+) isomer; structure given in first source
Names & identifiers
- Preferred name
- (+-)-(3alpha,14beta)-20,21-Dinoreburnamenin-14-ol
- IUPAC
- (15R,17R,19S)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-ol
- English name
- vindeburnol
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.35
Names & synonyms
VindeburnolVindeburnolumRU-24722DFR7VWX42KDTXSID20127018968779-67-9RefChem:905491DTXCID201700794(+-)-(3alpha,14beta)-20,21-Dinoreburnamenin-14-ol(-)-(12R*,13aR*,13bS*)-2,3,5,6,12,13,13a,13b-Octahydro-1H-indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridin-12-olVindeburnol [INN]Vindeburnolum [Latin]
Show more names
RU24722RU 2472220,21-Dinoreburnamenin-14-ol, 14,15-dihydro-, (3α,14β)-(±)-(3β,14α,16α)-(+/-)-14,15-dihydro-20,21-dinoreburnamenin-14-ol
UNII-DFR7VWX42K(+-)-20,21-Dinor-16alpha-eburnamineorb1694923SCHEMBL2110451CHEMBL6103090SCHEMBL29789430Eburnamenin-14-ol, 14,15-dihydro-, (3-alpha,14-beta)-(+-)-AKOS040754356
Database identifiers
- CAS
68779-67-9- PubChem CID
- 68882
- DTXSID
DTXSID201270189
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 28.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 205 · 205-206 °C
- Boiling point
- 482.5 · 482.5±45.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 14.28 · 14.28±0.20(Predicted)
- FDA UNII
- 7 VWX42K · DFR7VWX42K
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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