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Substance Name: Isomethadone d-form
RN: 26594-41-2
UNII: THB9T1JZ6C
InChIKey: IFKPLJWIEQBPGG-KRWDZBQOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O

Molecular Weight

  • 309.4503
 
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Names and Synonyms

Name of Substance

  • Isomethadone d-form

Synonyms

  • (+)-Isomethadone
  • (5R)-Isomethadone
  • d-6-(Dimethylamino)-4,4-diphenyl-5-methyl-3-hexanone
  • d-Isoamidone
  • UNII-THB9T1JZ6C

Systematic Name

  • 3-Hexanone, 6-(dimethylamino)-4,4-diphenyl-5-methyl-, (R)-

Registry Numbers

CAS Registry Number

  • 26594-41-2

FDA UNII

  • THB9T1JZ6C

System Generated Number

  • 0026594412

Structure Descriptors

InChI

1S/C21H27NO/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/t17-/m0/s1

InChIKey

IFKPLJWIEQBPGG-KRWDZBQOSA-N

Smiles

CCC(=O)C([C@@H](C)CN(C)C)(c1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 331mg/kg (331mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 110, Pg. 135, 1954.
mouse LD50 subcutaneous 137mg/kg (137mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 110, Pg. 135, 1954.