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Substance Name: Benzonitrile, 4-(3-phenylpropylsulfonyl)-2,3,5,6-tetrachloro-
RN: 56916-63-3
InChIKey: BGFXYRWKTITODM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-N-O2-S

Molecular Weight

  • 423.1459
 
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Names and Synonyms

Synonym

  • 4-(3-Phenylpropylsulfonyl)-2,3,5,6-tetrachlorobenzonitrile

Systematic Name

  • Benzonitrile, 4-(3-phenylpropylsulfonyl)-2,3,5,6-tetrachloro-

Registry Numbers

CAS Registry Number

  • 56916-63-3

System Generated Number

  • 0056916633

Structure Descriptors

InChI

1S/C16H11Cl4NO2S/c17-12-11(9-21)13(18)15(20)16(14(12)19)24(22,23)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

InChIKey

BGFXYRWKTITODM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCCS(=O)(=O)c2c(c(c(c(c2Cl)Cl)C#N)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.