Compound: Etorphine
SMILES: O1c2c(O)ccc3c2[C@@]45[C@@H]1[C@@]6(OC)C=C[C@]4([C@H](N(C)CC5)C3)C[C@@H]6[C@](O)(CCC)C
InChIKey: CAHCBJPUTCKATP-FAWZKKEFSA-N
Synonyms: Etorphine, 19-Propylorvinol, Etorfina, (-)-Etorphine, Etorphinum, M99 Injection, 14521-96-1, 7-alpha-Etorphine, Propylorvinol, M-99 FREE BASE, M. 99 FREE BASE, 42M2Y6NU9O, IDS-NE-007, DTXSID40878669, IDS-NE-007(SECT.3), Tetrahydro-7-alpha-(2-hydroxy-2-pentyl)-6,14-endo-ethenooripavine, 7-alpha-(1-(R)-Hydroxy-1-methylbutyl)-6,14-endo-ethenotetrahydrooripavine, 7,8-Dihydro-7-alpha-(1-(R)-hydroxy-1-methylbutyl)-O(sup 6)-methyl-6,14-endo-ethenomorphine, CHEBI:4912, 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (5alpha,7alpha(R))-, 6,14-endo-Ethenotetrahydrooripavine, 7-alpha-(1-hydroxy-1-methylbutyl)-, Ethorphine, Oripavine, 6,14-endo-ethylenetetrahydro-7-(1-hydroxy-1-methylbutyl)-, RefChem:139285, DTXCID601016711, tetrahydro-7alpha-(2-hydroxy-2-pentyl)-6,14-endo-ethenooripavine, tetrahydro-7alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine, (5ALPHA,7ALPHA(R))-4,5-EPOXY-3-HYDROXY-6-METHOXY-ALPHA,17-DIMETHYL-ALPHA-PROPYL-6,14-ETHENOMORPHINAN-7-METHANOL, 238-535-9, 2R-((4R,4aR,7R,7aR,12bS,14R)-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano(1)benzofuro(3,2-e)isoquinolin-14-yl)pentan-2-ol, Etorfina [DCIT], 7alpha-Etorphine, DEA No. 9056, Etorphine (INN), Etorphine (except hydrochloride salt), ETORPHINE [INN], Tetrahydro-7-alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine, 6,7,8,14-Tetrahydro-7alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine, Etorphine [INN:BAN], Etorphinum [INN-Latin], UNII-42M2Y6NU9O, HSDB 7601, CAHCBJPUTCKATP-FAWZKKEFSA-N, EINECS 238-535-9, ETORPHINE [MI], ETORPHINE [HSDB], M. 99 [as hydrochloride], SCHEMBL20507, SCHEMBL140251, CHEMBL140050, 6,7,8,14-Tetrahydro-7.alpha.-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine, (5.ALPHA.,7.ALPHA.(R))-4,5-EPOXY-3-HYDROXY-6-METHOXY-.ALPHA.,17-DIMETHYL-.ALPHA.-PROPYL-6,14-ETHENOMORPHINAN-7-METHANOL, BDBM50123599, NS00068005, D07937, TETRAHYDRO-7.ALPHA.-(2-HYDROXY-2-PENTYL)-6,14-ENDO-ETHENOORIPAVINE, 6,14-endo-Ethenotetrahydrooripavine, 7alpha-((R)-1-hydroxy-1-methylbutyl)- (8CI), 7.ALPHA.-(1(R)-HYDROXY-1-METHYLBUTYL)-6,14-ENDO-ETHENOTETRAHYDROORIPAVINE, Oripavine, 6,14-endo-ethylenetetrahydro-7-(1-hydroxy-1-methylbutyl)- (7CI), TETRAHYDRO-7.ALPHA.-(1-HYDROXY-1-METHYLBUTYL)-6,14-ENDO-ETHENOORIPAVINE, (4R,4aR,7R,7aR,12bS,14R)-14-[(2R)-2-Hydroxypentan-2-yl]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol, (7R)-7-[(2R)-2-hydroxypentan-2-yl]-6-methoxy-17-methyl-5alpha-4,5-epoxy-6,14-ethenomorphinan-3-ol, 6,14-ethenomorphinan-3-ol, 7,8-didehydro-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methylbutyl]-6-methoxy-17-methyl-, (5alpha,6beta,14beta,18R)-, 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-a-propyl-, [5alpha,7alpha(R)]-, 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (alphaR,5alpha,7alpha)- (9CI), 7,8-DIHYDRO-7.ALPHA.-(1(R)-HYDROXY-1-METHYLBUTYL)-O SUP(6)-METHYL-6,14-ENDO-ETHENOMORPHINE
Theoretical properties:
molecular_formula: C25H33NO4
molecular_weight: 411.5 g/mol
exact_mass: 411.24095853 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 30
topological_polar_surface_area: 62.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystals from aqueous ethoxyethanol
color: White crystals from aqueous ethoxyethanol
melting_point: 214-217 °C
Descriptions:
pubchem: Etorphine is a morphinane alkaloid and an alcohol. It has a role as an opioid analgesic, a sedative and an opioid receptor agonist.
chembl: ETORPHINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Etorphine (M99) is a semi-synthetic opioid possessing an analgesic potency approximately 1,000–3,000 times that of morphine. It was first prepared in 1960 from oripavine, which does not generally occur in opium poppy extract but rather the related plants Papaver orientale and Papaver bracteatum. It was reproduced in 1963 by a research group at MacFarlan Smith in Edinburgh, led by Kenneth Bentley. It can be produced from thebaine.