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Substance Name: 2-Propenenitrile, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-(methylsulfonyl)-
RN: 83677-23-0
InChIKey: OLKUCMZBIVTUBY-JYRVWZFOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O3-S

Molecular Weight

  • 335.4655
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-(methylsulfonyl)-2-propenenitrile
  • beta-(Methylsulfonyl)-beta-cyano-3,5-di-tert.butyl-4-hydroxystyrene

Systematic Name

  • 2-Propenenitrile, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2-(methylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 83677-23-0

System Generated Number

  • 0083677230

Structure Descriptors

InChI

1S/C18H25NO3S/c1-17(2,3)14-9-12(8-13(11-19)23(7,21)22)10-15(16(14)20)18(4,5)6/h8-10,20H,1-7H3/b13-8-

InChIKey

OLKUCMZBIVTUBY-JYRVWZFOSA-N

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)/C=C(/C#N)\S(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   European Patent Application. Vol. #0057881,