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Substance Name: Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-, citrate
RN: 4724-58-7
InChIKey: MMMNTDFSPSQXJP-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C18-H23-N-O.x-C6-H8-O7

Molecular Weight

  • 461.508
 
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Names and Synonyms

Synonyms

  • 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate
  • Benhexal
  • N,N-Dimethyl-2-((o-methyl-alpha-phenyl-benzyl)oxy)-ethylamine citrate
  • R-528

Systematic Names

  • Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate
  • Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-, citrate
  • N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyloxy)ethylamine citrate

Registry Numbers

CAS Registry Number

  • 4724-58-7

System Generated Number

  • 0004724587

Molecular Formulas

Molecular Formula

  • C18-H23-N-O.x-C6-H8-O7

Molecular Formula Fragments

  • C18-H23-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

MMMNTDFSPSQXJP-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)[C@@H](c1ccccc1)OCC[NH+](C)C.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 373, 1972.
mouse LD50 oral 150mg/kg (150mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 83, 1969.
rabbit LD50 intravenous 22mg/kg (22mg/kg) BEHAVIORAL: REGIDITY

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
International Journal of Neuropharmacology. Vol. 5, Pg. 305, 1966.
rat LD50 intramuscular 208mg/kg (208mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 373, 1972.
rat LD50 intravenous 26mg/kg (26mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 373, 1972.