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Substance Name: 1,2-Benzenedicarboxylic acid, bis(1-methyl-3-(octahydro-1-methyl-1H-indol-2-yl)propyl) ester, dihydrochloride
RN: 125503-58-4
InChIKey: RYYQLABGBIVGEL-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

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

Registry Numbers

CAS Registry Number

  • 125503-58-4

System Generated Number

  • 0125503584

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(17-19-27-21-25-11-5-9-15-31(25)35(27)3)39-33(37)29-13-7-8-14-30(29)34(38)40-24(2)18-20-28-22-26-12-6-10-16-32(26)36(28)4;;/h7-8,13-14,23-28,31-32H,5-6,9-12,15-22H2,1-4H3;2*1H

InChIKey

RYYQLABGBIVGEL-UHFFFAOYSA-N

Smiles

CC(CCC1CC2CCCCC2N1C)OC(=O)c3ccccc3C(=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.