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Substance Name: Acetic acid, chloro-, hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester
RN: 82531-54-2
InChIKey: ZXKILZLLJCXOQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-Cl-N3-O6

Molecular Weight

  • 265.608
 
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Names and Synonyms

Synonyms

  • 4-Chloroacetyloxy-5-nitro-4,5-dihydrothymine
  • BRN 5585300
  • Chloroacetic acid hexahydro-2,6-dioxo-5-methyl-5-nitro-4-pyrimidinyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82531-54-2

System Generated Number

  • 0082531542

Structure Descriptors

InChI

1S/C7H8ClN3O6/c1-7(11(15)16)4(13)9-6(14)10-5(7)17-3(12)2-8/h5H,2H2,1H3,(H2,9,10,13,14)

InChIKey

ZXKILZLLJCXOQV-UHFFFAOYSA-N

Smiles

C1([C@@]([C@@H](OC(CCl)=O)NC(=O)N1)([N+](=O)[O-])C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Pharmazie. Vol. 37, Pg. 283, 1982.