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Substance Name: Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-
RN: 147029-74-1
InChIKey: XBXXNMSJWVKCOG-ZMXYVGKQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N-O14

Molecular Weight

  • 567.4971
 
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Names and Synonyms

Synonym

  • (4-((4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)methanone

Systematic Name

  • Methanone, (4-((4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 147029-74-1

System Generated Number

  • 0147029741

Structure Descriptors

InChI

1S/C25H29NO14/c27-9-15-18(30)19(31)21(33)25(38-15)40-23-16(10-28)39-24(22(34)20(23)32)37-14-7-3-12(4-8-14)17(29)11-1-5-13(6-2-11)26(35)36/h1-8,15-16,18-25,27-28,30-34H,9-10H2/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1

InChIKey

XBXXNMSJWVKCOG-ZMXYVGKQSA-N

Smiles

c1cc(ccc1C(=O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)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.