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Substance Name: 4H-Pyrrolo(1,2-a)benzimidazole, 2-(4-chlorophenyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)
RN: 174657-59-1
InChIKey: ICTCSVOKPFHOGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H26-Cl-N3-O.2Cl-H.H2-O

Molecular Weight

  • 528.9082
 
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Names and Synonyms

Synonym

  • 2-(4-Chlorophenyl)-4-(2-morpholinoethyl)-3-phenyl-4H-pyrrolo(1,2-a)benzimidazole 2HCl hydrate

Systematic Name

  • 4H-Pyrrolo(1,2-a)benzimidazole, 2-(4-chlorophenyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 174657-59-1

System Generated Number

  • 0174657591

Molecular Formulas

Molecular Formula

  • C28-H26-Cl-N3-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C28-H26-Cl-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H26ClN3O.2ClH/c29-23-12-10-21(11-13-23)24-20-32-26-9-5-4-8-25(26)31(15-14-30-16-18-33-19-17-30)28(32)27(24)22-6-2-1-3-7-22;;/h1-13,20H,14-19H2;2*1H

InChIKey

ICTCSVOKPFHOGA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2c(cn3c2n(c4c3cccc4)CCN5CCOCC5)c6ccc(cc6)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 536mg/kg (536mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.