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Substance Name: Phosphorothioic triamide, N,N',N''-tris(2-(2,6-dioxo-4-methyl-1,2,3,6-tetrahydro-1-pyrimidinyl)ethyl)-, trisodium salt
RN: 84295-08-9
InChIKey: XKMLXIVOHUBOIC-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N9-O6-P-S.3Na

Molecular Weight

  • 633.5113
 
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Names and Synonyms

Synonym

  • N,N',N''-Tris(beta-(6-methyluracil-3)ethyl)triamide of thiophosphoric acid

Systematic Name

  • Phosphorothioic triamide, N,N',N''-tris(2-(2,6-dioxo-4-methyl-1,2,3,6-tetrahydro-1-pyrimidinyl)ethyl)-, trisodium salt

Registry Numbers

CAS Registry Number

  • 84295-08-9

System Generated Number

  • 0084295089

Molecular Formulas

Molecular Formula

  • C21-H27-N9-O6-P-S.3Na

Molecular Formula Fragments

  • C21-H27-N9-O6-P-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H30N9O6PS.3Na/c1-13-10-16(31)28(19(34)25-13)7-4-22-37(38,23-5-8-29-17(32)11-14(2)26-20(29)35)24-6-9-30-18(33)12-15(3)27-21(30)36;;;/h10-12H,4-9H2,1-3H3,(H6,22,23,24,25,26,27,31,32,33,34,35,36,38);;;/q;3*+1/p-3

InChIKey

XKMLXIVOHUBOIC-UHFFFAOYSA-K

Smiles

Cc1cc(=O)n(c(=O)[nH]1)CC[N-]P(=S)([N-]CCn2c(=O)cc([nH]c2=O)C)[N-]CCn3c(=O)cc([nH]c3=O)C.[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 610mg/kg (610mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 16(10), Pg. 33, 1982.