Compound: VERATRAMINE
SMILES: O[C@H]1[C@@H](NC[C@H](C1)C)[C@H](c2c(c3c([C@@H]4CC=C5[C@@]([C@H]4C3)(CC[C@@H](C5)O)C)cc2)C)C
InChIKey: MALFODICFSIXPO-KFKQDBFTSA-N
Synonyms: VERATRAMINE, 60-70-8, (3beta,23beta)-14,15,16,17-Tetradehydroveratraman-3,23-diol, RK363YG315, NSC-17821, NSC-23880, CHEBI:9951, DTXSID40871534, (3beta,23R)-14,15,16,17-tetradehydroveratraman-3,23-diol, Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3beta,23beta)-, RefChem:193959, DTXCID501474790, (3 beta,23 beta)-14,15,16,17-tetradehydroveratraman-3,23-diol, (2S,3R,5S)-2-((1S)-1-((1S,2R,5S,10R)-5-hydroxy-2,15-dimethyltetracyclo(8.7.0.02,7.011,16)heptadeca-7,11(16),12,14-tetraen-14-yl)ethyl)-5-methylpiperidin-3-ol, NSC 17821, Vreaframine, NSC 23880, MFCD00468124, (2S,3R,5S)-2-((S)-1-((3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-2,3,4,6,6a,11,11a,11b-octahydro-1H-benzo[a]fluoren-9-yl)ethyl)-5-methylpiperidin-3-ol, (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol, NSC17821, NSC23880, NSC17821;NSC23880, (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-piperidin-3-ol, HSDB 3545, BRN 0055515, UNII-RK363YG315, Veratraman-3, 14,15,16,17-tetradehydro-, (3.beta.,23.beta.)-, WLN: L D6 B566 LU&TTTJ A1 E1 OQ FY1&- BT6MTJ CQ E1, Veratramine (Standard), 14,15,16,17-Tetradehydroveratraman-3,23-diol, LS-162032, VERATRAMINE [MI], Veratraman-3,23-diol, 14,15,16,17-tetradehydro-, (3-beta,23-beta)-, 5-21-05-00297 (Beilstein Handbook Reference), SCHEMBL335680, CHEMBL464724, orb1304277, orb3140261, SCHEMBL29352403, HY-N0837R, GLXC-02990, HY-N0837, BDBM50396007, MSK169043, s3911, AKOS030526858, CCG-268761, EBC-609484, FV28689, (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1H,2H,3H,4H,6H,6aH,11H,11aH,11bH-cyclohexa[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol, AC-33967, BS-17189, V0148, Q15427945, (3b,23b)-14,15,16,17-Teradehydroveratraman-3,23-diol, (23R)-14,15,16,17-Tetradehydroveratraman-3beta,23-diol, (3beta,23beta)-14,15,16,17-Teradehydroveratraman-3,23-diol, 3-PIPERIDINOL, 5-METHYL-2-((1S)-1-((3S,6AR,11AS,11BR)-2,3,4,6,6A,11,11A,11B-OCTAHYDRO-3-HYDROXY-10,11B-DIMETHYL-1H-BENZO(A)FLUOREN-9-YL)ETHYL)-, (2S,3R,5S)-
Theoretical properties:
molecular_formula: C27H39NO2
molecular_weight: 409.6 g/mol
exact_mass: 409.298079487 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 30
topological_polar_surface_area: 52.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CRYSTALS
color: CRYSTALS
melting_point: MP: 209.5-210.5 °C /HYDRATE/
solubility: SLIGHTLY SOL IN WATER; SOL IN METHANOL, ALC
Descriptions:
pubchem: Veratramine is a piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions. It derives from a hydride of a veratraman.
chebi: A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.
chembl: VERATRAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Veratramine is an alkaloid isolated from the rhizomes of Veratrum.