Pentazocine
PubChem CID: 441278
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| Compound Synonyms | pentazocine, L-pentazocine, Pentazocin, Pentazocine, (-)-, 359-83-1, Levopentazocine, Pentazocinum, Pentazocine, L-, (-)-PENTAZOCINE, 7488-49-5, dl-Pentazocine, cis-(-)-Pentazocine, Fortalin, Pentagin, Sosigon, (-)-cis-Pentazocine, Pentazocine 2R,6R,11R-form, (-)-alpha-Pentazocine, UNII-768DQ5A5AI, Pentazocaine, Pentazocina, Pentazocine 2R,6R,11R-form [MI], Sosegon, 768DQ5A5AI, RP4A60D26L, WIN-20228, II-C-2, WIN 20,228, (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, 2,6-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-(3,3-Dimethylallyl)cyclazocine, NIH 7958, WIN 20228, KF-1820, Pentazocine civ, Pentazocina [DCIT], (+)-Pentazocine, 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan, 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-methanobenzo[d]azocin-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), 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorphan, PENTAZOCINE (+), PENTAZOCINE (-), 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7-benzomorphan, 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, UNII-RP4A60D26L, NIH-7958, HSDB 3150, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, 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], CHEMBL560, PENTAZOCINE [VANDF], SCHEMBL2492, PENTAZOCINE [MART.], PENTAZOCINE [WHO-DD], CHEBI:7982, 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-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)-, (2alpha,6alpha,11R*)-, 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, (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, (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, Fortalgesic, Fortalin, 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 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q60492, Q5BJF2, Q99720, P35372, P41145 |
| Iupac Name | (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 |
| Prediction Hob | 0.0 |
| Target Id | NPT296, NPT145, NPT272 |
| Xlogp | 3.3 |
| Molecular Formula | C19H27NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | VOKSWYLNZZRQPF-GDIGMMSISA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -4.051 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.815 |
| Compound Name | Pentazocine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 285.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7744007714285717 |
| Inchi | InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 |
| Smiles | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all