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Substance Name: Isonipecotic acid, 1-(beta-(diethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)
RN: 14735-87-6
InChIKey: PFZRVADOTJJXNO-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N2-O2.2C4-H4-O4

Molecular Weight

  • 640.726
 
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Names and Synonyms

Synonym

  • 1-(beta-(Diethylamino)phenethyl)-4-phenylisonipecotic acid ethyl ester maleate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 14735-87-6

System Generated Number

  • 0014735876

Molecular Formulas

Molecular Formula

  • C26-H36-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C26-H36-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N2O2.2C4H4O4/c1-4-28(5-2)24(22-13-9-7-10-14-22)21-27-19-17-26(18-20-27,25(29)30-6-3)23-15-11-8-12-16-23;2*5-3(6)1-2-4(7)8/h7-16,24H,4-6,17-21H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

PFZRVADOTJJXNO-SPIKMXEPSA-N

Smiles

C1(c2ccccc2)(CC[NH+](CC1)C[C@@H](c1ccccc1)[NH+](CC)CC)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.