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Substance Name: Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate
RN: 64977-52-2
InChIKey: OEAJKPYORNFNEN-XOEVEMGQSA-N

Molecular Formula

  • C11-H13-F-N2-O8

Molecular Weight

  • 320.228
 
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Names and Synonyms

Name of Substance

  • Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate

Synonyms

  • (5-Fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-beta-D-glucopyranosiduronic acid methyl ester
  • 5-Fluorouracil O-beta-D-glucuronide
  • 5-FU O-beta-D-glucuronide
  • FU-O-G
  • Methyl 1-(5-fluoro-1H-2-oxopyrimidin-4-yl)-beta-D-glucopyranuronate

Systematic Name

  • Glucopyranosiduronic acid, (5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, methyl ester, beta-D-

Registry Numbers

CAS Registry Number

  • 64977-52-2

System Generated Number

  • 0064977522

Structure Descriptors

InChI

1S/C11H13FN2O8/c1-20-9(18)7-5(16)4(15)6(17)10(21-7)22-8-3(12)2-13-11(19)14-8/h2,4-7,10,15-17H,1H3,(H,13,14,19)/t4-,5-,6+,7-,10-/m0/s1

InChIKey

OEAJKPYORNFNEN-XOEVEMGQSA-N

Smiles

O1[C@H](C(=O)OC)[C@H]([C@@H]([C@H](O)[C@@H]1Oc1[nH]c(ncc1F)=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5gm/kg (5000mg/kg)   Gann. Japanese Journal of Cancer Research. Vol. 69, Pg. 283, 1978.