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Substance Name: Thiocarbarsone
RN: 120-02-5
UNII: 5ZBS38PFRD
InChIKey: VULRLPILKVVAQO-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-As-N2-O5-S2

Molecular Weight

  • 392.287
 
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Names and Synonyms

Name of Substance

  • Thiocarbarsone

Synonyms

  • (p-Ureidophenylarsylenedithio)diacetic acid
  • 4-Carbamidophenyl bis(carboxymethylthio)arsenite
  • Acetic acid, (p-carbamoylamino)phenylarsinobis(2-thio-
  • Acetic acid, 2,2'-((4-((aminocarbonyl)amino)phenyl)arsinidene)bis(thio)bis-
  • Arsine, bis(carboxymethylthio)(p-ureidophenyl)-
  • Benzenearsonous acid, dithio-p-ureido-, diester with mercaptoacetic acid
  • Bis(carboxymethylmercapto)(p-ureidophenyl)arsine
  • C.C. No. 914
  • CC 914
  • Chemotherapy Center No. 914
  • Mercaptoacetic acid, diester with dithio-p-ureidobenzenearsonous acid
  • Phenyl urea p-di(carboxymethyl) thioarsenite
  • Thiocarbarsone
  • UNII-5ZBS38PFRD

Systematic Name

  • Acetic acid, mercapto-, diester with dithio-p-ureidobenzenearsonous acid

Registry Numbers

CAS Registry Number

  • 120-02-5

FDA UNII

  • 5ZBS38PFRD

System Generated Number

  • 0000120025

Structure Descriptors

InChI

1S/C11H13AsN2O5S2/c13-11(19)14-8-3-1-7(2-4-8)12(20-5-9(15)16)21-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)(H3,13,14,19)

InChIKey

VULRLPILKVVAQO-UHFFFAOYSA-N

Smiles

[As](c1ccc(NC(N)=O)cc1)(SCC(O)=O)SCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.
mouse LD50 intravenous 43mg/kg (43mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.
rabbit LDLo intravenous 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.
rat LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.
rat LD50 intravenous 29mg/kg (29mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.
rat LD50 oral 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.340 (none)   EST
Atmospheric OH Rate Constant 5.39E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.