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Substance Name: 1,4-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2S*,3aR*,6aR*),3a-beta,6a-beta)-
RN: 125503-51-7
InChIKey: UPQOOBUDXHJODZ-CQLLOFCBSA-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

Synonym

  • Bis(3-(1-methyl-2-cyclopenta(b)pyrrolidinyl)-1-propyl)terephthalate dihydrochloride

Systematic Name

  • 1,4-Benzenedicarboxylic acid, bis(3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl) ester, dihydrochloride, (2-alpha(2S*,3aR*,6aR*),3a-beta,6a-beta)-

Registry Numbers

CAS Registry Number

  • 125503-51-7

System Generated Number

  • 0125503517

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(19-23-7-3-11-27(23)31)9-5-17-35-29(33)21-13-15-22(16-14-21)30(34)36-18-6-10-26-20-24-8-4-12-28(24)32(26)2;;/h13-16,23-28H,3-12,17-20H2,1-2H3;2*1H/t23-,24?,25+,26?,27-,28?;;/m0../s1

InChIKey

UPQOOBUDXHJODZ-CQLLOFCBSA-N

Smiles

CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)c3ccc(cc3)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.