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Substance Name: Phosphorothioic triamide, N,N',N''-tris(2-(2,6-dioxo-5-nitro-1,2,3,6-tetrahydro-1-pyrimidinyl)ethyl)-
RN: 84295-07-8
InChIKey: OUDPGYKBERHYDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N12-O12-P-S

Molecular Weight

  • 660.4759
 
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Names and Synonyms

Synonyms

  • BRN 5219512
  • N,N',N''-Tris(beta-(5-nitrouracil-3)ethyl)triamide of thiophosphoric acid
  • N,N',N''-Tris-(beta-(5-nitro-3-uracil)ethyl)thiophosphoric acid triamide

Systematic Name

  • Phosphorothioic triamide, N,N',N''-tris(2-(2,6-dioxo-5-nitro-1,2,3,6-tetrahydro-1-pyrimidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 84295-07-8

System Generated Number

  • 0084295078

Structure Descriptors

InChI

1S/C18H21N12O12PS/c31-13-10(28(37)38)7-19-16(34)25(13)4-1-22-43(44,23-2-5-26-14(32)11(29(39)40)8-20-17(26)35)24-3-6-27-15(33)12(30(41)42)9-21-18(27)36/h7-9H,1-6H2,(H,19,34)(H,20,35)(H,21,36)(H3,22,23,24,44)

InChIKey

OUDPGYKBERHYDG-UHFFFAOYSA-N

Smiles

c1c(c(=O)n(c(=O)[nH]1)CCNP(=S)(NCCn2c(=O)c(c[nH]c2=O)[N+](=O)[O-])NCCn3c(=O)c(c[nH]c3=O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/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.