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Substance Name: 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-
RN: 125503-52-8
InChIKey: GTUYQSDRGMCESD-DCGOCGOKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-N2-O4.2Cl-H

Molecular Weight

  • 569.6094
 
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Names and Synonyms

  • 1,3-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2R*,3aS*,6aS*),3a-beta,6a-beta)-

Registry Numbers

CAS Registry Number

  • 125503-52-8

System Generated Number

  • 0125503528

Molecular Formulas

Molecular Formula

  • C30-H44-N2-O4.2Cl-H

Molecular Formula Fragments

  • C30-H44-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H44N2O4.2ClH/c1-31-25(19-21-8-4-14-27(21)31)12-6-16-35-29(33)23-10-3-11-24(18-23)30(34)36-17-7-13-26-20-22-9-5-15-28(22)32(26)2;;/h3,10-11,18,21-22,25-28H,4-9,12-17,19-20H2,1-2H3;2*1H/t21-,22?,25+,26?,27-,28?;;/m0../s1

InChIKey

GTUYQSDRGMCESD-DCGOCGOKSA-N

Smiles

CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)c3cccc(c3)C(=O)OCCCC4CC5CCCC5N4C.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.