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Substance Name: Isomethadone hydrobromide, DL-
RN: 63765-85-5
UNII: W8PU00YDDB
InChIKey: FDTSMJLKASTENG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O.Br-H

Molecular Weight

  • 390.362
 
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Names and Synonyms

Name of Substance

  • Isomethadone hydrobromide, DL-

Synonyms

  • Isoamidone hydrobromide
  • UNII-W8PU00YDDB

Systematic Name

  • 3-Hexanone, 6-dimethylamino-4,4-diphenyl-5-methyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 63765-85-5

FDA UNII

  • W8PU00YDDB

Related Registry Number

  • 466-40-0 (Parent)

System Generated Number

  • 0063765855

Molecular Formulas

Molecular Formula

  • C21-H27-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H27-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO.BrH/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H

InChIKey

FDTSMJLKASTENG-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)([C@@H](C[NH+](C)C)C)C(CC)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 70mg/kg (70mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 121, 1950.