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Substance Name: Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)
RN: 75859-75-5
InChIKey: CFHGJXPLIPBANN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N-O2.1/2C2-H2-O2

Molecular Weight

  • 660.8032
 
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Names and Synonyms

Synonyms

  • 2-(2-Hydroxybenzyl)-1-(4-(methylamino)butoxy)benzene oxalate (2:1)
  • o-(o-(4-Methylaminobutoxy)benzyl)phenol oxalate (2:1)

Systematic Name

  • Phenol, o-(o-(4-methylaminobutoxy)benzyl)-, oxalate (2:1)

Registry Numbers

CAS Registry Number

  • 75859-75-5

System Generated Number

  • 0075859755

Molecular Formulas

Molecular Formula

  • C18-H23-N-O2.1/2C2-H2-O2

Molecular Formula Fragments

  • C18-H23-N-O2
  • C2-H2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H23NO2.C2H2O4/c2*1-19-12-6-7-13-21-18-11-5-3-9-16(18)14-15-8-2-4-10-17(15)20;3-1(4)2(5)6/h2*2-5,8-11,19-20H,6-7,12-14H2,1H3;(H,3,4)(H,5,6)

InChIKey

CFHGJXPLIPBANN-UHFFFAOYSA-N

Smiles

CNCCCCOc1ccccc1Cc2ccccc2O.CNCCCCOc1ccccc1Cc2ccccc2O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Journal of Medicinal Chemistry. Vol. 24, Pg. 145, 1981.