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Substance Name: 1H-Benzimidazole, 5-chloro-2-(4-methoxyphenyl)-, hemihydrate
RN: 91437-83-1
InChIKey: JPNFNVLTRSDIFP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Cl-N2-O.1/2H2-O

Molecular Weight

  • 535.429
 
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Names and Synonyms

Synonym

  • 5-Chloro-2-(4-methoxyphenyl)-1H-benzimidazole hemihydrate

Systematic Name

  • 1H-Benzimidazole, 5-chloro-2-(4-methoxyphenyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 91437-83-1

System Generated Number

  • 0091437831

Molecular Formulas

Molecular Formula

  • C14-H11-Cl-N2-O.1/2H2-O

Molecular Formula Fragments

  • C14-H11-Cl-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C14H11ClN2O.H2O/c2*1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14;/h2*2-8H,1H3,(H,16,17);1H2

InChIKey

JPNFNVLTRSDIFP-UHFFFAOYSA-N

Smiles

c1(c2ccc(OC)cc2)nc2cc(Cl)ccc2[nH]1.O.c1(c2ccc(OC)cc2)nc2cc(Cl)ccc2[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 525mg/kg (525mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 215, 1988.