Cas no 359-83-1 (Pentazocine)

Pentazocine structure
Pentazocine structure
Product Name:Pentazocine
CAS No:359-83-1
MF:C19H27NO
MW:285.42378
CID:305442
PubChem ID:441278
Update Time:2024-02-29

Pentazocine Chemical and Physical Properties

Names and Identifiers

    • Pentazocine
    • Pentazocine solution
    • 2-(3,3-Dimethylallyl)-2',2'-hydroxy-5,9-dimethyl-6,7
    • 2-(3,3-Dimethylallyl)cyclazocine
    • 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)-, (2α,6α,11R*)-
    • 2-Dimethylallyl-5,9-dimethyl-2'-hydroxybenzomorphan
    • dl-pentazocine
    • Fortalgesic
    • Fortalin
    • Fortral
    • II-C-2
    • NIH 7958
    • Pentazocin
    • Sosigon
    • Talwin
    • Win 20228

Computed Properties

  • Exact Mass: 285.20941
  • Monoisotopic Mass: 285.209264485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 414
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 23.5?2

Experimental Properties

  • Density: 1.0104 (rough estimate)
  • Melting Point: 145.4-147.20C
  • Boiling Point: 427.85°C (rough estimate)
  • Flash Point: 9℃
  • Refractive Index: 1.5180 (estimate)
  • Solubility: DMSO: >10mg/mL
  • PSA: 23.47
  • LogP: log Kow= 3.31

Pentazocine Security Information

  • Hazardous Material transportation number:UN1230 - class 3 - PG 2 - Methanol, solution
  • Hazard Category Code: 22-39/23/24/25-23/24/25-11
  • Safety Instruction: 7-16-36/37-45
  • RTECS:PB8750000
  • Hazardous Material Identification: Xn
  • Toxicity:LD50 s.c. in male rats: 175±36 mg/kg (Goldenthal)
  • Risk Phrases:R22

Pentazocine Pricemore >>

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