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Substance Name: Methanone, (4-nitrophenyl)(4-(alpha-D-xylopyranosyloxy)phenyl)-
RN: 147029-72-9
InChIKey: NDSLOJPCFZVFLS-BZZMCLGOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O8

Molecular Weight

  • 375.3313
 
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Names and Synonyms

Synonym

  • (4-Nitrophenyl)(4-(alpha-D-xylopyranosyloxy)phenyl)methanone

Systematic Name

  • Methanone, (4-nitrophenyl)(4-(alpha-D-xylopyranosyloxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 147029-72-9

System Generated Number

  • 0147029729

Structure Descriptors

InChI

1S/C18H17NO8/c20-14-9-26-18(17(23)16(14)22)27-13-7-3-11(4-8-13)15(21)10-1-5-12(6-2-10)19(24)25/h1-8,14,16-18,20,22-23H,9H2/t14-,16+,17-,18-/m1/s1

InChIKey

NDSLOJPCFZVFLS-BZZMCLGOSA-N

Smiles

c1cc(ccc1C(=O)c2ccc(cc2)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 898, 1993.