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Substance Name: Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-
RN: 117238-55-8
InChIKey: MROLIVLEGPGQPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-N-O2

Molecular Weight

  • 249.2679
 
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Names and Synonyms

Synonym

  • 4-(2-Benzofuranylhydroxymethyl)benzonitrile

Systematic Name

  • Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-

Registry Numbers

CAS Registry Number

  • 117238-55-8

System Generated Number

  • 0117238558

Structure Descriptors

InChI

1S/C16H11NO2/c17-10-11-5-7-12(8-6-11)16(18)15-9-13-3-1-2-4-14(13)19-15/h1-9,16,18H

InChIKey

MROLIVLEGPGQPG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cc(o2)C(c3ccc(cc3)C#N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 203, 1988.