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Substance Name: Isonipecotic acid, 1-(beta-morpholinophenethyl)-4-phenyl-, ethyl ester, maleate (1:1)
RN: 13451-61-1
InChIKey: YDJHOCKKFHIMEN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O3.C4-H4-O4

Molecular Weight

  • 538.637
 
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Names and Synonyms

Synonym

  • 1-(beta-Morpholinophenethyl)-4-phenylisonipecotic acid ethyl ester maleate (1:1)

Systematic Name

  • Isonipecotic acid, 1-(beta-morpholinophenethyl)-4-phenyl-, ethyl ester, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 13451-61-1

System Generated Number

  • 0013451611

Molecular Formulas

Molecular Formula

  • C26-H34-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C26-H34-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34N2O3.C4H4O4/c1-2-31-25(29)26(23-11-7-4-8-12-23)13-15-27(16-14-26)21-24(22-9-5-3-6-10-22)28-17-19-30-20-18-28;5-3(6)1-2-4(7)8/h3-12,24H,2,13-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

YDJHOCKKFHIMEN-BTJKTKAUSA-N

Smiles

C1(c2ccccc2)(CC[NH+](C[C@@H](c2ccccc2)N2CCOCC2)CC1)C(OCC)=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.