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Substance Name: 1,2-Benzenediol, 4-(1-methyl-3-piperidinyl)-, diacetate (ester), ethanedioate (1:1)
RN: 62033-48-1
InChIKey: GTWABFAQWLKZQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O4.C2-H2-O4

Molecular Weight

  • 381.3787
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62033-48-1

System Generated Number

  • 0062033481

Molecular Formulas

Molecular Formula

  • C16-H21-N-O4.C2-H2-O4

Molecular Formula Fragments

  • C16-H21-N-O4
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO4.C2H2O4/c1-11(18)20-15-7-6-13(9-16(15)21-12(2)19)14-5-4-8-17(3)10-14;3-1(4)2(5)6/h6-7,9,14H,4-5,8,10H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

GTWABFAQWLKZQN-UHFFFAOYSA-N

Smiles

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