Pentazocine - Substance Summary (SID 9625)
The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)
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 Drug and Chemical Information: (Total:1)
Medication Information
TALWIN injection, Pentazocine Lactate Injection, USP, is a member of the benzazocine series (also known as the benzomorphan series). Chemically, pentazocine lactate is 1, 2, 3, 4, 5,  Analgesics, Opioid
- Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS. | Adjuvants, Anesthesia
- Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage. | Narcotic Antagonists
- Agents inhibiting the effect of narcotics on the central nervous system. | Narcotics
- Agents that induce NARCOSIS. This term is considered outdated due to imprecision but continues to be widely used. Originally, agents that ... Narcotics
- Agents that induce NARCOSIS. This term is considered outdated due to imprecision but continues to be widely used. Originally, agents that caused somnolence or induced sleep (STUPOR); now, any derivative, natural or synthetic, of OPIUM or MORPHINE or any substance that has their effects. Narcotics are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.  |
Pharmacological Classification Chemical ClassificationSafety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | EINECS - European Inventory of Existing Commercial Chemical Substances | EINECS - European Inventory of Existing Commercial Chemical Substances | EINECS - European Inventory of Existing Commercial Chemical Substances | EINECS - European Inventory of Existing Commercial Chemical Substances | TOXLINE - Citations to the toxicological literature | TOXLINE - Citations to the toxicological literature | TOXLINE - Citations to the toxicological literature | LactMed - Information on chemicals that breastfeeding mothers may be exposed | ClinicalTrials.gov - Registry of federal and private clinical trials | ClinicalTrials.gov - Registry of federal and private clinical trials |
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 Data Source: 
Depositor: KEGGExternal ID: C07421
 Properties Computed from Structure:
| Molecular Weight | 285.42378 [g/mol] | | Molecular Formula | C19H27NO | | XLogP3 | 3.3 | | H-Bond Donor | 1 | | H-Bond Acceptor | 2 | | Rotatable Bond Count | 2 | | Tautomer Count | 3 | | Exact Mass | 285.209264 | | MonoIsotopic Mass | 285.209264 | | Topological Polar Surface Area | 23.5 | | Heavy Atom Count | 21 | | Formal Charge | 0 | | Complexity | 414 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 3 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
Canonical SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O
Isomeric SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O
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
InChIKey: VOKSWYLNZZRQPF-GDIGMMSISA-N
Substance Information:
Depositor-Supplied Comments:
CAS: 359-83-1
Same as: D00498
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| Compound ID | 441278 |
| | Molecular Weight | 285.42378 [g/mol] |
| | Molecular Formula | C19H27NO |
| | XLogP3 | 3.3 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 2 |
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