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Substance Name: Benzenesulfonic acid, 4,4'-(4-(2-(diethylamino)ethyl)-3,5-dioxo-1,2-pyrazolidinediyl)bis-, disodium salt
RN: 53039-87-5
InChIKey: LJDOVMQRZRSNLZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N3-O8-S2.2Na

Molecular Weight

  • 555.5377
 
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Names and Synonyms

Synonyms

  • 1,2-Di(p-sulphophenyl)-4-diethylaminoethyl-3,5-dioxopyrazolidine sodium salt
  • Sulfodethamedion

Systematic Name

  • Benzenesulfonic acid, 4,4'-(4-(2-(diethylamino)ethyl)-3,5-dioxo-1,2-pyrazolidinediyl)bis-, disodium salt

Registry Numbers

CAS Registry Number

  • 53039-87-5

System Generated Number

  • 0053039875

Molecular Formulas

Molecular Formula

  • C21-H23-N3-O8-S2.2Na

Molecular Formula Fragments

  • C21-H23-N3-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H25N3O8S2.2Na/c1-3-22(4-2)14-13-19-20(25)23(15-5-9-17(10-6-15)33(27,28)29)24(21(19)26)16-7-11-18(12-8-16)34(30,31)32;;/h5-12,19H,3-4,13-14H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

InChIKey

LJDOVMQRZRSNLZ-UHFFFAOYSA-L

Smiles

CCN(CC)CCC1C(=O)N(N(C1=O)c2ccc(cc2)S(=O)(=O)[O-])c3ccc(cc3)S(=O)(=O)[O-].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 4gm/kg (4000mg/kg)   Farmakologiya i Toksikologiya Vol. 37, Pg. 432, 1974.