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Substance Name: 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride
RN: 76410-21-4
InChIKey: VVKJDEUSWNRZOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H30-N2-O4.Cl-H

Molecular Weight

  • 495.016
 
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Names and Synonyms

  • 1H-Indole-3-carboxylic acid, 5-(2-hydroxy-3-(benzylamino)propoxy)-2-methyl-1-phenyl-, ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 76410-21-4

System Generated Number

  • 0076410214

Molecular Formulas

Molecular Formula

  • C28-H30-N2-O4.Cl-H

Molecular Formula Fragments

  • C28-H30-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H30N2O4.ClH/c1-3-33-28(32)27-20(2)30(22-12-8-5-9-13-22)26-15-14-24(16-25(26)27)34-19-23(31)18-29-17-21-10-6-4-7-11-21;/h4-16,23,29,31H,3,17-19H2,1-2H3;1H

InChIKey

VVKJDEUSWNRZOX-UHFFFAOYSA-N

Smiles

c12c(n(c3ccccc3)c(c1C(OCC)=O)C)ccc(c2)OC[C@@H](C[NH2+]Cc1ccccc1)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 21mg/kg (21mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 794, 1980.