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Substance Name: Isonipecotic acid, 1-(5-nitro-3-indolylmethyl)-4-phenyl-, ethyl ester, hydrochloride
RN: 3414-73-1
InChIKey: MYVIZFHTFIPCTJ-UHFFFAOYSA-N

Molecular Formula

  • C23-H25-N3-O4.Cl-H

Molecular Weight

  • 443.928
 
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Names and Synonyms

Synonym

  • N-(5-Nitro-3-indolylmethyl)-1-phenylisonipecotic acid ethyl ester hydrochloride

Systematic Name

  • Isonipecotic acid, 1-(5-nitro-3-indolylmethyl)-4-phenyl-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3414-73-1

System Generated Number

  • 0003414731

Molecular Formulas

Molecular Formula

  • C23-H25-N3-O4.Cl-H

Molecular Formula Fragments

  • C23-H25-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H25N3O4.ClH/c1-2-30-22(27)23(18-6-4-3-5-7-18)10-12-25(13-11-23)16-17-15-24-21-9-8-19(26(28)29)14-20(17)21;/h3-9,14-15,24H,2,10-13,16H2,1H3;1H

InChIKey

MYVIZFHTFIPCTJ-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(CC[NH+](Cc2c3c(ccc(c3)[N+](=O)[O-])[nH]c2)CC1)C(OCC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Medicinal Chemistry. Vol. 9, Pg. 140, 1966.