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Substance Name: Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate
RN: 101952-87-8
InChIKey: KFWIVGCUQUUAQD-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O2.1/2C4-H4-O4

Molecular Weight

  • 401.4563
 
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Names and Synonyms

Synonyms

  • 3-(alpha-(2-(Dimethylamino)ethoxy)benzyl)-4-methylphenol fumarate
  • N,N-Dimethyl-2-(alpha-(2-(5-hydroxy)tolylbenzyl)oxy)ethylamine fumarate

Systematic Name

  • Phenol, 3-(alpha-(2-(dimethylamino)ethoxy)benzyl)-4-methyl-, fumarate

Registry Numbers

CAS Registry Number

  • 101952-87-8

System Generated Number

  • 0101952878

Molecular Formulas

Molecular Formula

  • C18-H23-N-O2.1/2C4-H4-O4

Molecular Formula Fragments

  • C18-H23-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H23NO2.C4H4O4/c1-14-9-10-16(20)13-17(14)18(21-12-11-19(2)3)15-7-5-4-6-8-15;5-3(6)1-2-4(7)8/h4-10,13,18,20H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KFWIVGCUQUUAQD-WLHGVMLRSA-N

Smiles

Cc1ccc(cc1C(c2ccccc2)OCCN(C)C)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 538, 1970.