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Substance Name: Indole-3-carboxylic acid, 5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride
RN: 88461-83-0
InChIKey: HTQDXKXZPYAWRA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-N2-O6-S.Cl-H

Molecular Weight

  • 571.091
 
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Names and Synonyms

  • Indole-3-carboxylic acid, 5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 88461-83-0

System Generated Number

  • 0088461830

Molecular Formulas

Molecular Formula

  • C29-H30-N2-O6-S.Cl-H

Molecular Formula Fragments

  • C29-H30-N2-O6-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30N2O6S.ClH/c1-3-36-29(32)28-25-19-23(37-38(33,34)24-12-9-21(2)10-13-24)11-14-26(25)31(22-7-5-4-6-8-22)27(28)20-30-15-17-35-18-16-30;/h4-14,19H,3,15-18,20H2,1-2H3;1H

InChIKey

HTQDXKXZPYAWRA-UHFFFAOYSA-N

Smiles

c1(n(c2ccc(cc2c1C(OCC)=O)OS(c1ccc(C)cc1)(=O)=O)c1ccccc1)C[NH+]1CCOCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 870mg/kg (870mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmaceutical Chemistry Journal Vol. 17, Pg. 564, 1983.