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Substance Name: CRL 40053
RN: 59264-71-0
InChIKey: SSQJWTJVHZJVDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-Cl-N3-O3-S.Cl-H

Molecular Weight

  • 454.3759
 
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Names and Synonyms

Results Name

  • CRL 40053

Synonyms

  • 1-(4-Chlorobenzoyl)-2-((2-(4-morpholinyl)ethyl)sulfinyl)-1H-benzimidazole monohydrochloride
  • 1-(p-Chlorobenzoyl)-2-(2-morpholinoethylsulfinyl)benzimidazole hydrochloride
  • CRL 40053

Systematic Name

  • 1H-Benzimidazole, 1-(4-chlorobenzoyl)-2-((2-(4-morpholinyl)ethyl)sulfinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 59264-71-0

System Generated Number

  • 0059264710

Molecular Formulas

Molecular Formula

  • C20-H20-Cl-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C20-H20-Cl-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H20ClN3O3S.ClH/c21-16-7-5-15(6-8-16)19(25)24-18-4-2-1-3-17(18)22-20(24)28(26)14-11-23-9-12-27-13-10-23;/h1-8H,9-14H2;1H

InChIKey

SSQJWTJVHZJVDU-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)nc(n2C(=O)c3ccc(cc3)Cl)S(=O)CCN4CCOCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #4065584,