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Substance Name: Isomethadone [INN:BAN:DCF]
RN: 466-40-0
UNII: 12L95QD6KV
InChIKey: IFKPLJWIEQBPGG-UHFFFAOYSA-N

Classification Code

  • DEA Schedule II

Molecular Formula

  • C21-H27-N-O

Molecular Weight

  • 309.4503
 
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Names and Synonyms

Name of Substance

  • Isomethadone
  • Isomethadone [INN:BAN:DCF]

Synonyms

  • 1,1-Diphenyl-1-(dimethylaminoisopropyl)butanone-2
  • 6-Dimethylamino-5-methyl-4,4-diphenyl-3-hexanone
  • Isoamidone II
  • Isometadona
  • Isometadona [INN-Spanish]
  • Isometadone
  • Isometadone [DCIT]
  • Isomethadone
  • Isomethadone II
  • Isomethadonum
  • Isomethadonum [INN-Latin]
  • UNII-12L95QD6KV
  • Win 1783

Systematic Names

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

Superlist Names

  • DEA No. 9226
  • Isomethadone

Registry Numbers

CAS Registry Number

  • 466-40-0

FDA UNII

  • 12L95QD6KV

Related Registry Number

  • 63765-85-5 (hydrobromide)

System Generated Number

  • 0000466400

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

InChIKey

IFKPLJWIEQBPGG-UHFFFAOYSA-N

Smiles

CCC(=O)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 17mg/kg (17mg/kg)   Science. Vol. 104, Pg. 587, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.170 (none)   EST
Atmospheric OH Rate Constant 9.85E-11 cm3/molecule-sec 25 EST

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