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Substance Name: Benzoic acid, 2-(4-(bis(2-(methylsulfonyloxy)ethyl))amino-2-methyl)phenylazo-
RN: 40136-85-4
InChIKey: PHSFJAWBKHURGB-QURGRASLSA-N

Molecular Formula

  • C20-H25-N3-O8-S2

Molecular Weight

  • 499.562
 
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Names and Synonyms

Synonyms

  • Azobenzene, 4-bis(2-(methylsulfonyloxy)ethyl)-2'-carboxy-2-methyl-
  • Benzoic acid, 2-(4-(bis(2-(methylsulfonyloxy)ethyl)amino)-1-(o-tolyl))azo-

Systematic Name

  • Benzoic acid, 2-(4-(bis(2-(methylsulfonyloxy)ethyl))amino-2-methyl)phenylazo-

Registry Numbers

CAS Registry Number

  • 40136-85-4

System Generated Number

  • 0040136854

Structure Descriptors

InChI

1S/C20H25N3O8S2/c1-15-14-16(23(10-12-30-32(2,26)27)11-13-31-33(3,28)29)8-9-18(15)21-22-19-7-5-4-6-17(19)20(24)25/h4-9,14H,10-13H2,1-3H3,(H,24,25)/b22-21+

InChIKey

PHSFJAWBKHURGB-QURGRASLSA-N

Smiles

c1(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc(c(\N=N\c2c(cccc2)C(O)=O)cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of the National Cancer Institute. Vol. 50, Pg. 243, 1973.