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Substance Name: 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)
RN: 61832-63-1
InChIKey: ILLUOUCSXKTMTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H42-N2-O4.C2-H2-O4

Molecular Weight

  • 656.7716
 
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Names and Synonyms

Synonyms

  • 4-(1-(Phenylmethyl)-3-piperidinyl)-1,2-benzenediol ethanedioate (2:1) (salt)
  • N-Benzyl-3-(3',4'-dihydroxyphenyl)piperidine oxalate

Systematic Name

  • 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, ethanedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 61832-63-1

System Generated Number

  • 0061832631

Molecular Formulas

Molecular Formula

  • C36-H42-N2-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C36-H42-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H21NO2.C2H2O4/c2*20-17-9-8-15(11-18(17)21)16-7-4-10-19(13-16)12-14-5-2-1-3-6-14;3-1(4)2(5)6/h2*1-3,5-6,8-9,11,16,20-21H,4,7,10,12-13H2;(H,3,4)(H,5,6)

InChIKey

ILLUOUCSXKTMTG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCCC(C2)c3ccc(c(c3)O)O.c1ccc(cc1)CN2CCCC(C2)c3ccc(c(c3)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   United States Patent Document. Vol. #4072685,