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Substance Name: m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-
RN: 5819-78-3
InChIKey: XHSDFGAXDKSCBK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O3-S

Molecular Weight

  • 389.557
 
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Names and Synonyms

Synonyms

  • 4-(Octyloxy)-alpha-(p-tolylsulfonyl)-m-toluidine
  • M & B 6453

Systematic Name

  • m-Toluidine, 4-(octyloxy)-alpha-(p-tolylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 5819-78-3

System Generated Number

  • 0005819783

Structure Descriptors

InChI

1S/C22H31NO3S/c1-3-4-5-6-7-8-15-26-22-14-11-20(23)16-19(22)17-27(24,25)21-12-9-18(2)10-13-21/h9-14,16H,3-8,15,17,23H2,1-2H3

InChIKey

XHSDFGAXDKSCBK-UHFFFAOYSA-N

Smiles

Nc1cc(c(cc1)OCCCCCCCC)CS(=O)(=O)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 29, Pg. 248, 1967.