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Substance Name: 1,4-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride
RN: 125503-57-3
InChIKey: HWZSNVVHOKSWGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H52-N2-O4.2Cl-H

Molecular Weight

  • 625.7166
 
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Names and Synonyms

  • 1,4-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 125503-57-3

System Generated Number

  • 0125503573

Molecular Formulas

Molecular Formula

  • C34-H52-N2-O4.2Cl-H

Molecular Formula Fragments

  • C34-H52-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H52N2O4.2ClH/c1-23(13-19-29-21-27-9-5-7-11-31(27)35(29)3)39-33(37)25-15-17-26(18-16-25)34(38)40-24(2)14-20-30-22-28-10-6-8-12-32(28)36(30)4;;/h15-18,23-24,27-32H,5-14,19-22H2,1-4H3;2*1H

InChIKey

HWZSNVVHOKSWGE-UHFFFAOYSA-N

Smiles

CC(CCC1CC2CCCCC2N1C)OC(=O)c3ccc(cc3)C(=O)OC(C)CCC4CC5CCCCC5N4C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100ug/kg (0.1mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 588, 1989.