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Substance Name: beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl
RN: 147029-75-2
InChIKey: DCPDXJNRIIGWAX-YUAHOQAQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-N-O10

Molecular Weight

  • 419.3403
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl

Registry Numbers

CAS Registry Number

  • 147029-75-2

System Generated Number

  • 0147029752

Structure Descriptors

InChI

1S/C19H17NO10/c21-13(9-1-5-11(6-2-9)20(27)28)10-3-7-12(8-4-10)29-19-16(24)14(22)15(23)17(30-19)18(25)26/h1-8,14-17,19,22-24H,(H,25,26)/t14-,15-,16+,17-,19+/m0/s1

InChIKey

DCPDXJNRIIGWAX-YUAHOQAQSA-N

Smiles

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