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Substance Name: Phenadoxone hydrochloride
RN: 545-91-5
UNII: JPI3X77W99
InChIKey: QGUPBYVADAJUNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O2.Cl-H

Molecular Weight

  • 387.948
 
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Names and Synonyms

Name of Substance

  • Phenadoxone hydrochloride

Synonyms

  • 4,4-Diphenyl-6-morpholino-3-heptanone hydrochloride
  • CB 11
  • EINECS 208-895-1
  • Hepagin
  • Heptalgin
  • Heptazone hydrochloride
  • Hoechst 10600
  • Morphodone hydrochloride
  • Phenadoxone HCl
  • Phenadoxone hydrochloride
  • Supralgin
  • UNII-JPI3X77W99

Systematic Names

  • 3-Heptanone, 4,4-diphenyl-6-morpholino-, hydrochloride
  • 3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-, hydrochloride (9CI)
  • 3-Heptanone, 6-morpholino-4,4-diphenyl-, hydrochloride (8CI)
  • Phenadoxone hydrochloride

Registry Numbers

CAS Registry Number

  • 545-91-5

FDA UNII

  • JPI3X77W99

System Generated Number

  • 0000545915

Molecular Formulas

Molecular Formula

  • C23-H29-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H

InChIKey

QGUPBYVADAJUNT-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C[C@@H](N1CCOCC1)C)C(CC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949.
mouse LD50 intravenous 48mg/kg (48mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 305, 1950.
mouse LD50 oral 208mg/kg (208mg/kg)   Farmaco. Scienza e Tecnica. Vol. 5, Pg. 185, 1950.
mouse LD50 subcutaneous 110mg/kg (110mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 121, 1950.
rat LD50 subcutaneous 132mg/kg (132mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 305, 1950.