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Substance Name: Acetic acid, dichloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
RN: 82531-55-3
InChIKey: XHNRVDJBGSWOTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-Cl2-N3-O6

Molecular Weight

  • 300.053
 
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Names and Synonyms

Synonyms

  • 4-Dichloroacetyloxy-5-nitro-4,5-dihydrothymine
  • BRN 5593596
  • Dichloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester

Systematic Name

  • Acetic acid, dichloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester

Registry Numbers

CAS Registry Number

  • 82531-55-3

System Generated Number

  • 0082531553

Structure Descriptors

InChI

1S/C7H7Cl2N3O6/c1-7(12(16)17)4(14)10-6(15)11-5(7)18-3(13)2(8)9/h2,5H,1H3,(H2,10,11,14,15)

InChIKey

XHNRVDJBGSWOTP-UHFFFAOYSA-N

Smiles

N1[C@@H]([C@@](C(NC1=O)=O)([N+](=O)[O-])C)OC(C(Cl)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1750mg/kg (1750mg/kg)   Pharmazie. Vol. 37, Pg. 283, 1982.