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Substance Name: beta-D-Xylopyranoside, 3-((4-chlorophenyl)methyl)phenyl
RN: 147029-83-2
InChIKey: QDQWNOCTKSHKSP-XDNAFOTISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl-O5

Molecular Weight

  • 350.7961
 
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Names and Synonyms

Synonym

  • 3-(4-Chlorobenzyl)phenyl-beta-D-xylopyranoside

Systematic Name

  • beta-D-Xylopyranoside, 3-((4-chlorophenyl)methyl)phenyl

Registry Numbers

CAS Registry Number

  • 147029-83-2

System Generated Number

  • 0147029832

Structure Descriptors

InChI

1S/C18H19ClO5/c19-13-6-4-11(5-7-13)8-12-2-1-3-14(9-12)24-18-17(22)16(21)15(20)10-23-18/h1-7,9,15-18,20-22H,8,10H2/t15-,16+,17-,18+/m1/s1

InChIKey

QDQWNOCTKSHKSP-XDNAFOTISA-N

Smiles

c1cc(cc(c1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)Cc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 898, 1993.