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Substance Name: Methanone, (2-chlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hydrate
RN: 83354-73-8
InChIKey: NTAATPAHYWWOTM-SPUZQDLCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-Cl-O6.H2-O

Molecular Weight

  • 364.7793
 
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Names and Synonyms

Synonym

  • (2-Chlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate

Systematic Name

  • Methanone, (2-chlorophenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 83354-73-8

System Generated Number

  • 0083354738

Molecular Formulas

Molecular Formula

  • C18-H17-Cl-O6.H2-O

Molecular Formula Fragments

  • C18-H17-Cl-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H17ClO6/c19-13-4-2-1-3-12(13)15(21)10-5-7-11(8-6-10)25-18-17(23)16(22)14(20)9-24-18/h1-8,14,16-18,20,22-23H,9H2/t14-,16+,17-,18+/m1/s1

InChIKey

NTAATPAHYWWOTM-SPUZQDLCSA-N

Smiles

c1ccc(c(c1)C(=O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)Cl

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.