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Substance Name: Benzenesulfonic acid, p-((p-(bis(2-chloroethyl)amino)phenyl)azo)-
RN: 100311-03-3
InChIKey: TZZKJIJYMBMITP-FMQUCBEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl2-N3-O3-S

Molecular Weight

  • 402.3003
 
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Names and Synonyms

Synonyms

  • 4-(4-(Bis(2-chloroethyl)amino)phenylazo)benzenesulfonic acid
  • 4-16-00-00512 (Beilstein Handbook Reference)
  • BRN 3456237
  • p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid

Systematic Name

  • Benzenesulfonic acid, p-((p-(bis(2-chloroethyl)amino)phenyl)azo)-

Registry Numbers

CAS Registry Number

  • 100311-03-3

System Generated Number

  • 0100311033

Structure Descriptors

InChI

1S/C16H17Cl2N3O3S/c17-9-11-21(12-10-18)15-5-1-13(2-6-15)19-20-14-3-7-16(8-4-14)25(22,23)24/h1-8H,9-12H2,(H,22,23,24)/b20-19+

InChIKey

TZZKJIJYMBMITP-FMQUCBEESA-N

Smiles

c1cc(ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 150mg/kg (150mg/kg)   Pharmaceutical Bulletin. Vol. 5, Pg. 203, 1957.
rat LD50 intraperitoneal 150mg/kg (150mg/kg)   Pharmaceutical Bulletin. Vol. 5, Pg. 199, 1957.