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Substance Name: alpha-dl-Acetylmethadol hydrochloride
RN: 5988-47-6
InChIKey: UXBPQRGCVJOTNT-TVNLMDKXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O2.Cl-H

Molecular Weight

  • 389.964
 
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Names and Synonyms

Name of Substance

  • alpha-dl-Acetylmethadol hydrochloride

Synonyms

  • (+-)-(R*,R*)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate hydrochloride
  • alpha-dl-Acetylmethadol hydrochloride

Systematic Name

  • 3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), hydrochloride, (R*,R*)-(+-)-

Registry Numbers

CAS Registry Number

  • 5988-47-6

System Generated Number

  • 0005988476

Molecular Formulas

Molecular Formula

  • C23-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m1./s1

InChIKey

UXBPQRGCVJOTNT-TVNLMDKXSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 118mg/kg (118mg/kg)   Journal of Organic Chemistry. Vol. 17, Pg. 321, 1952.
mouse LD50 parenteral 4300ug/kg (4.3mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacology and Experimental Therapeutics. Vol. 145, Pg. 11, 1964.
mouse LD50 subcutaneous 61mg/kg (61mg/kg)   Journal of Organic Chemistry. Vol. 17, Pg. 321, 1952.