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Substance Name: Benzenearsonic acid, 3,4-digluconamido-, disodium salt
ID: CY47500000
InChIKey: KOAOHQJIQXAWJX-UNEMWSTKSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-As-O15.2Na

Molecular Weight

  • 632.3123
 
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Names and Synonyms

Synonyms

  • 3,4-Digluconamidobenzenearsonic acid disodium salt
  • 3,4-Digluconyl-3,4-diaminophenylarsonic acid disodium salt

Systematic Name

  • Benzenearsonic acid, 3,4-digluconamido-, disodium salt

Registry Numbers

ID Number

  • NIOSH/CY4750000

System Generated Number

  • CY47500000

Molecular Formulas

Molecular Formula

  • C18-H27-As-O15.2Na

Molecular Formula Fragments

  • C18-H27-As-O15
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H29AsN2O15.2Na/c22-4-9(24)11(26)13(28)15(30)17(32)20-7-2-1-6(19(34,35)36)3-8(7)21-18(33)16(31)14(29)12(27)10(25)5-23;;/h1-3,9-16,22-31H,4-5H2,(H,20,32)(H,21,33)(H2,34,35,36);;/q;2*+1/p-2/t9-,10-,11-,12-,13+,14+,15-,16-;;/m1../s1

InChIKey

KOAOHQJIQXAWJX-UNEMWSTKSA-L

Smiles

[Na+].[Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(cc1NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[As](=O)([O-])[O-]