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Substance Name: Piperidine, 1-(2-(3-chloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
RN: 81320-23-2
InChIKey: ZENZBUJIQQOWNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-N-O2.C6-H8-O7

Molecular Weight

  • 535.974
 
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Names and Synonyms

Synonyms

  • N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate
  • N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]

Systematic Name

  • Piperidine, 1-(2-(3-chloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Registry Numbers

CAS Registry Number

  • 81320-23-2

System Generated Number

  • 0081320232

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C20-H22-Cl-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClNO2.C6H8O7/c21-15-8-9-16-17(10-13-22-11-4-1-5-12-22)23-18-6-2-3-7-19(18)24-20(16)14-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,6-9,14,17H,1,4-5,10-13H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

ZENZBUJIQQOWNQ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)Oc3cc(ccc3C(O2)CCN4CCCCC4)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   French Demande Patent Document. Vol. #2480283,
mouse LD50 oral 250mg/kg (250mg/kg)   French Demande Patent Document. Vol. #2480283,