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Substance Name: Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)phenyl-, hemihydrate
RN: 83355-65-1
InChIKey: ZCXWHGXLVGHPKE-IQZDNPOKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O7.1/2H2-O

Molecular Weight

  • 360.36
 
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Names and Synonyms

Synonym

  • (4-(beta-D-Glucopyranosyloxy)phenyl)phenylmethanone hemihydrate

Systematic Name

  • Methanone, (4-(beta-D-glucopyranosyloxy)phenyl)phenyl-, hemihydrate

Registry Numbers

CAS Registry Number

  • 83355-65-1

System Generated Number

  • 0083355651

Molecular Formulas

Molecular Formula

  • C19-H20-O7.1/2H2-O

Molecular Formula Fragments

  • C19-H20-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H20O7/c20-10-14-16(22)17(23)18(24)19(26-14)25-13-8-6-12(7-9-13)15(21)11-4-2-1-3-5-11/h1-9,14,16-20,22-24H,10H2/t14-,16-,17+,18-,19-/m1/s1

InChIKey

ZCXWHGXLVGHPKE-IQZDNPOKSA-N

Smiles

c1ccc(cc1)C(=O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 898, 1993.