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Substance Name: alpha-Acetylmethadol hydrochloride
RN: 53757-35-0
InChIKey: UXBPQRGCVJOTNT-TVNLMDKXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O2.Cl-H

Molecular Weight

  • 389.9638
 
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Names and Synonyms

Results Name

  • alpha-Acetylmethadol hydrochloride

Synonyms

  • alpha-Acetylmethadol hydrochloride
  • alpha-d-Acetylmethadol hydrochloride

Systematic Name

  • Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), hydrochloride, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 53757-35-0

System Generated Number

  • 0053757350

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

CC[C@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 130mg/kg (130mg/kg)   Journal of Organic Chemistry. Vol. 17, Pg. 321, 1952.
mouse LD50 parenteral 5736ug/kg (5.736mg/kg) BEHAVIORAL: ANALGESIA Journal of Pharmacology and Experimental Therapeutics. Vol. 145, Pg. 11, 1964.
mouse LD50 subcutaneous 72200ug/kg (72.2mg/kg)   Journal of Organic Chemistry. Vol. 17, Pg. 321, 1952.