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Substance Name: 4H-Pyrrolo(1,2-a)benzimidazole, 2-(1,1-dimethylethyl)-4-(2-(4-morpholinyl)ethyl)-3-phenyl-, hydrochloride, hydrate (1:2:1)
RN: 174657-58-0
InChIKey: TWLCHCVQNNMUKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N3-O.2Cl-H.H2-O

Molecular Weight

  • 474.4727
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 174657-58-0

System Generated Number

  • 0174657580

Molecular Formulas

Molecular Formula

  • C26-H31-N3-O.2Cl-H.H2-O

Molecular Formula Fragments

  • C26-H31-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H31N3O.2ClH/c1-26(2,3)21-19-29-23-12-8-7-11-22(23)28(14-13-27-15-17-30-18-16-27)25(29)24(21)20-9-5-4-6-10-20;;/h4-12,19H,13-18H2,1-3H3;2*1H

InChIKey

TWLCHCVQNNMUKB-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cn2c3ccccc3n(c2c1c4ccccc4)CCN5CCOCC5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 490mg/kg (490mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 22, 1996.