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Substance Name: Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-, hydrate
RN: 26844-30-4
InChIKey: JLACVOYZEGGBHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N3-O3.H2-O

Molecular Weight

  • 391.4685
 
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Names and Synonyms

Synonyms

  • 2-(((4-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)benzoic acid hydrate
  • 3-(2-(4-(2-Carboxybenzamido)piperid-1-yl)ethyl)indole hydrate

Systematic Name

  • Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 26844-30-4

System Generated Number

  • 0026844304

Molecular Formulas

Molecular Formula

  • C23-H25-N3-O3.H2-O

Molecular Formula Fragments

  • C23-H25-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H25N3O3/c27-22(19-6-1-2-7-20(19)23(28)29)25-17-10-13-26(14-11-17)12-9-16-15-24-21-8-4-3-5-18(16)21/h1-8,15,17,24H,9-14H2,(H,25,27)(H,28,29)

InChIKey

JLACVOYZEGGBHH-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)NC(=O)c4ccccc4C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Journal of Medicinal Chemistry. Vol. 14, Pg. 1054, 1971.