Compound: pentazocine
SMILES: Oc1cc2c(C[C@H]3N(CC=C(C)C)CC[C@@]2([C@H]3C)C)cc1
InChIKey: VOKSWYLNZZRQPF-GDIGMMSISA-N
Synonyms: pentazocine, Pentazocin, Fortalgesic, Fortalin, Pentazocinum, Pentagin, Sosigon, 359-83-1, Pentazocina, Liticon, Fortral, II-C-2, Pentazocine civ, 2-(3,3-Dimethylallyl)cyclazocine, NIH 7958, WIN 20228, RP4A60D26L, WIN-20228, WIN 20,228, 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan, CHEBI:7982, (2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol, 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan, 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan, NIH-7958, 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol, 3-(3-Methyl-2-butenyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2alpha,6alpha,11R*)-, (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo(7.3.1.0^(2,7))trideca-2,4,6-trien-4-ol, (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-4-ol, Lactate, Pentazocine, RefChem:928798, N02AD01, (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo(7.3.1.02,7)trideca-2,4,6-trien-4-ol, 206-634-6, NSC-107430, L-pentazocine, Levopentazocine, Pentazocine, (-)-, Pentazocine, L-, (-)-PENTAZOCINE, cis-(-)-Pentazocine, (-)-cis-Pentazocine, Pentazocine 2R,6R,11R-form, (-)-alpha-Pentazocine, UNII-768DQ5A5AI, Pentazocaine, Pentazocine 2R,6R,11R-form [MI], Sosegon, 768DQ5A5AI, 7488-49-5, CHEMBL560, dl-Pentazocine, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R,11R)-, KF-1820, Pentazocina [DCIT], Pentazocinum [INN-Latin], (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol, (2R,6R,11R)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-2,6-methano-3-benzazocin-8-ol, (2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R,11R)-rel-, Fortral (TN), PENTAZOCINE (+), PENTAZOCINE (-), UNII-RP4A60D26L, HSDB 3150, EINECS 206-634-6, (+-)-Pentazocine, (+/-)-pentazocine, NSC 107430, Pentazocine,(+/-), Pentazocine [USAN:USP:INN:BAN:JAN], cis-(+-)-Pentazocine, PENTAZOCINE [MI], cis-(+/-)-Pentazocine, PENTAZOCINE [INN], PENTAZOCINE [JAN], PENTAZOCINE [HSDB], PENTAZOCINE [USAN], PENTAZOCINE [VANDF], SCHEMBL2492, PENTAZOCINE [MART.], PENTAZOCINE [WHO-DD], GTPL1606, 359-83-1 (free base), Pentazocine (JP18/USP/INN), DTXSID7023433, PENTAZOCINE [EP IMPURITY], PENTAZOCINE CIV [USP-RS], VOKSWYLNZZRQPF-GDIGMMSISA-N, (-)-.ALPHA.-PENTAZOCINE, PENTAZOCINE [EP MONOGRAPH], Pentazocine (1mg/ml in Methaniol), PENTAZOCINE [USP MONOGRAPH], (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol, (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol, 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol, EINECS 244-593-6, BDBM50001028, DB00652, FP26817, FP26819, (2alpha,6alpha,11R*)-(1)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol, (2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methanobenzo[d]azocin-8-ol, NS00010467, C07421, D00498, Q415793, (-)-cis-Pentazocine; 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R,11R)-; 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2R,6R,11R)- (9CI); 2,6-Methano-3-benzazocin-8-ol, 1,2, (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0?,?]trideca-2(7),3,5-trien-4-ol, (2R,6R,11R)-rel-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-2,6-methano-3-benzazocin-8-ol, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2R,6R)-, 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(3-METHYL-2-BUTENYL)-, (2R,6R,11R)-, 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(3-METHYL-2-BUTENYL)-, CIS-(-)-, 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine), rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
Theoretical properties:
molecular_formula: C19H27NO
molecular_weight: 285.4 g/mol
exact_mass: 285.209264485 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 21
topological_polar_surface_area: 23.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WHITE TO VERY PALE TAN CRYSTALLINE POWDER
color: WHITE TO VERY PALE TAN CRYSTALLINE POWDER
odor: ODORLESS OR ALMOST ODORLESS
solubility: White to pale cream colored, odorless crystalline powder; there are two forms melting at about 218 deg & 254 °C, respectively; Sol 1 part in 30 parts of water, 1 part in 16 parts alcohol, 1 part in 4 parts chloroform; very slightly sol in acetone; practically insol in ether; 1% soln in water has a pH of 4 to 6 /Pentazocine hydrochloride/
Descriptions:
pubchem: Pentazocine is a benzazocine.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pentazocine, sold under the brand name Talwin among others, is an analgesic medication used to treat moderate to severe pain. It is believed to work by activating (agonizing) κ-opioid receptors (KOR) and μ-opioid receptors (MOR). As such it is called an opioid as it delivers its effects on pain by interacting with the opioid receptors. It shares many of the side effects of other opioids like constipation, nausea, itching, drowsiness, and respiratory depression, but, unlike most other opioids, it fairly frequently causes hallucinations, nightmares, and delusions. It is also, unlike most other opioids, subject to a ceiling effect, which is when at a certain dose no more pain relief is obtained by increasing the dose any further.
Chemically it is classed as a benzomorphan and it comes in two enantiomers.
It was patented in 1960 and approved for medical use in 1964. Usually, in its oral formulations, it is combined with naloxone so as to prevent people from crushing the tablets, dissolving them in a solvent (like water) and injecting them for a high (as orally administered naloxone produces no opioid-negating effects as it has no oral bioavailability, whereas intravenous or intramuscular administration does).