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Substance Name: Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-
RN: 147029-71-8
InChIKey: XDTVKCFMTFAIDV-GYFISPQKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N-O9

Molecular Weight

  • 405.3571
 
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Names and Synonyms

Synonym

  • (4-(beta-D-Mannopyranosyloxy)phenyl)(4-nitrophenyl)methanone

Systematic Name

  • Methanone, (4-(beta-D-mannopyranosyloxy)phenyl)(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 147029-71-8

System Generated Number

  • 0147029718

Structure Descriptors

InChI

1S/C19H19NO9/c21-9-14-16(23)17(24)18(25)19(29-14)28-13-7-3-11(4-8-13)15(22)10-1-5-12(6-2-10)20(26)27/h1-8,14,16-19,21,23-25H,9H2/t14-,16-,17+,18+,19-/m1/s1

InChIKey

XDTVKCFMTFAIDV-GYFISPQKSA-N

Smiles

c1cc(ccc1C(=O)c2ccc(cc2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=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.