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Substance Name: Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)
RN: 13451-56-4
InChIKey: ATHGWRPZKWSGGI-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O2.2C4-H4-O4

Molecular Weight

  • 612.672
 
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Names and Synonyms

Synonyms

  • 1-(2-Phenyl-2-dimethylaminoaethyl)-4-aethoxycarbonyl-4-phenylpiperidin di(hydrogenmaleat)
  • 1-(beta-(Dimethylamino)phenethyl)-4-phenylisonipecotic acid ethyl ester maleate (1:2)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 13451-56-4

System Generated Number

  • 0013451564

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O2.2C4-H4-O4

Molecular Formula Fragments

  • C24-H32-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O2.2C4H4O4/c1-4-28-23(27)24(21-13-9-6-10-14-21)15-17-26(18-16-24)19-22(25(2)3)20-11-7-5-8-12-20;2*5-3(6)1-2-4(7)8/h5-14,22H,4,15-19H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

ATHGWRPZKWSGGI-SPIKMXEPSA-N

Smiles

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