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Substance Name: 4,4'-Stilbenediol, alpha,alpha'-diethyl-, bis(bis(2-chloroethyl) sulfamate)
RN: 102584-76-9
InChIKey: BVIIXZZVOZEFKU-QIKYXUGXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-Cl4-N2-O6-S2

Molecular Weight

  • 712.5362
 
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Names and Synonyms

Synonyms

  • O,O'-Di-(bis-(2-chloraethyl)-sulfamyl)-diaethylstilboestrol
  • O,O'-Di-(bis-(2-chloraethyl)-sulfamyl)-diaethylstilboestrol [German]

Systematic Name

  • 4,4'-Stilbenediol, alpha,alpha'-diethyl-, bis(bis(2-chloroethyl) sulfamate)

Registry Numbers

CAS Registry Number

  • 102584-76-9

System Generated Number

  • 0102584769

Structure Descriptors

InChI

1S/C18H20O2.2C4H9Cl2NO3S/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;2*5-1-3-7-11(8,9)10-4-2-6/h5-12,19-20H,3-4H2,1-2H3;2*7H,1-4H2/b18-17+;;

InChIKey

BVIIXZZVOZEFKU-QIKYXUGXSA-N

Smiles

CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O.C(CCl)NS(=O)(=O)OCCCl.C(CCl)NS(=O)(=O)OCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 subcutaneous 1500mg/kg (1500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 1119, 1962.