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Substance Name: 1,2-Benzenediol, 4-(1-(phenylmethyl)-3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)
RN: 61832-65-3
InChIKey: PJIAUHYOMVCUMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O4.C2-H2-O4

Molecular Weight

  • 457.4763
 
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Names and Synonyms

Synonyms

  • 4-(1-(Phenylmethyl)-3-piperidinyl)-1,2-benzenediol diacetate (ester) ethanedioate (1:1)
  • N-Benzyl-3-(3',4'-diacetoxyphenyl)piperidine oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61832-65-3

System Generated Number

  • 0061832653

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H25-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.C2H2O4/c1-16(24)26-21-11-10-19(13-22(21)27-17(2)25)20-9-6-12-23(15-20)14-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-8,10-11,13,20H,6,9,12,14-15H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

PJIAUHYOMVCUMF-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccc(cc1OC(=O)C)C2CCCN(C2)Cc3ccccc3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4072685,