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Substance Name: Methanone, (4-methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hydrate
RN: 83354-79-4
InChIKey: DRQYAGYFRQBGMO-LULLPPNCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-O6.H2-O

Molecular Weight

  • 344.361
 
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Names and Synonyms

Synonym

  • (4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate

Systematic Name

  • Methanone, (4-methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 83354-79-4

System Generated Number

  • 0083354794

Molecular Formulas

Molecular Formula

  • C19-H20-O6.H2-O

Molecular Formula Fragments

  • C19-H20-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H20O6/c1-11-2-4-12(5-3-11)16(21)13-6-8-14(9-7-13)25-19-18(23)17(22)15(20)10-24-19/h2-9,15,17-20,22-23H,10H2,1H3/t15-,17+,18-,19+/m1/s1

InChIKey

DRQYAGYFRQBGMO-LULLPPNCSA-N

Smiles

Cc1ccc(cc1)C(=O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)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.