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Substance Name: Isonipecotic acid, 4-phenyl-1-(beta-(1-pyrrolidinyl)phenethyl)-, ethyl ester, maleate (1:2)
RN: 13451-60-0
InChIKey: LUFCQPLWQSMUPZ-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O2.2C4-H4-O4

Molecular Weight

  • 638.71
 
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Names and Synonyms

Synonym

  • 4-Phenyl-1-(beta-(1-pyrrolidinyl)phenethyl)isonipecotic acid ethyl ester maleate (1:2)

Systematic Name

  • Isonipecotic acid, 4-phenyl-1-(beta-(1-pyrrolidinyl)phenethyl)-, ethyl ester, maleate (1:2)

Registry Numbers

CAS Registry Number

  • 13451-60-0

System Generated Number

  • 0013451600

Molecular Formulas

Molecular Formula

  • C26-H34-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C26-H34-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34N2O2.2C4H4O4/c1-2-30-25(29)26(23-13-7-4-8-14-23)15-19-27(20-16-26)21-24(28-17-9-10-18-28)22-11-5-3-6-12-22;2*5-3(6)1-2-4(7)8/h3-8,11-14,24H,2,9-10,15-21H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

LUFCQPLWQSMUPZ-SPIKMXEPSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CC1)C[C@@H](c1ccccc1)[NH+]1CCCC1)C(OCC)=O.C(=C/C(=O)[O-])\C(O)=O.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 32, Pg. 1285, 1967.