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Substance Name: 1,7-Dicarbadodecaborane(12)-1,7-dicarboxylic acid, cadmium salt, hydrate (1:1:1)
RN: 155891-01-3
InChIKey: NETZLZPNDRKXFX-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H10-B10-O4.Cd.H2-O

Molecular Weight

  • 350.5748
 
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Names and Synonyms

Synonym

  • Oligo-m-carboranedicarboxy-Cd hydrate

Systematic Name

  • 1,7-Dicarbadodecaborane(12)-1,7-dicarboxylic acid, cadmium salt, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 155891-01-3

System Generated Number

  • 0155891013

Molecular Formulas

Molecular Formula

  • C4-H10-B10-O4.Cd.H2-O

Molecular Formula Fragments

  • C4-H10-B10-O4
  • Cd
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C4H2B10O4.Cd.H2O/c15-1(16)3-5-4(2(17)18)6(3,5)8(3)10(4,6)12(4)9(4,5)7(3,5)11(3,8)13(7,9,12)14(8,10,11)12;;/h(H,15,16)(H,17,18);;1H2/q;+2;/p-2

InChIKey

NETZLZPNDRKXFX-UHFFFAOYSA-L

Smiles

O.[Cd+2].[O-]C(=O)[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]%11%15%16[B]16%12[B]2%15%17[B]3%18%19[B]9%13([B]47%10%18)[C]%14%16%17%19C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10700ug/kg (10.7mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 494, 1996.