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Substance Name: 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-, hydrochloride
RN: 23007-86-5
InChIKey: GTILQXXTQIRYGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N.Cl-H

Molecular Weight

  • 223.745
 
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Names and Synonyms

Synonyms

  • 1,2,3,4,5,6-Hexahydro-3-methyl-2,6-methano-3-benzazocine hydrochloride
  • 2-Methyl-6,7-benzomorphan hydrochloride

Systematic Name

  • 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-3-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 23007-86-5

System Generated Number

  • 0023007865

Molecular Formulas

Molecular Formula

  • C13-H17-N.Cl-H

Molecular Formula Fragments

  • C13-H17-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17N.ClH/c1-14-7-6-11-9-12(14)8-10-4-2-3-5-13(10)11;/h2-5,11-12H,6-9H2,1H3;1H

InChIKey

GTILQXXTQIRYGJ-UHFFFAOYSA-N

Smiles

c12c(C[C@@H]3[N@@](CC[C@@H]1C3)C)cccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 150mg/kg (150mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 12, Pg. 405, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.65E+00 (none)   EXP
Water Solubility 8.54E+05 mg/L 25 EST
Vapor Pressure 9.49E-09 mm Hg 25 EST
Henry's Law Constant 1.48E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.20E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.