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Substance Name: Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-(p-tolyl)-, ethyl ester, acetate (ester), hydrochloride
RN: 88461-86-3
InChIKey: LAYFBOYKPMCILT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-Br-N2-O5.Cl-H

Molecular Weight

  • 551.862
 
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Names and Synonyms

  • Indole-3-carboxylic acid, 6-bromo-5-hydroxy-2-(morpholinomethyl)-1-(p-tolyl)-, ethyl ester, acetate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 88461-86-3

System Generated Number

  • 0088461863

Molecular Formulas

Molecular Formula

  • C25-H27-Br-N2-O5.Cl-H

Molecular Formula Fragments

  • C25-H27-Br-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27BrN2O5.ClH/c1-4-32-25(30)24-19-13-23(33-17(3)29)20(26)14-21(19)28(18-7-5-16(2)6-8-18)22(24)15-27-9-11-31-12-10-27;/h5-8,13-14H,4,9-12,15H2,1-3H3;1H

InChIKey

LAYFBOYKPMCILT-UHFFFAOYSA-N

Smiles

n1(c(c(C(OCC)=O)c2c1cc(Br)c(c2)OC(C)=O)C[NH+]1CCOCC1)c1ccc(C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD16 oral 1gm/kg (1000mg/kg)   Russian Pharmacology and Toxicology Vol. 46, Pg. 223, 1983.