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Substance Name: Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-(trifluoromethyl)phenyl)-, hemihydrate
RN: 83366-26-1
InChIKey: IAHRHVHGDSTKTD-XGAGZNTDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-F3-N-O7.1/2H2-O

Molecular Weight

  • 469.4098
 
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Names and Synonyms

  • Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(4-(trifluoromethyl)phenyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 83366-26-1

System Generated Number

  • 0083366261

Molecular Formulas

Molecular Formula

  • C22-H22-F3-N-O7.1/2H2-O

Molecular Formula Fragments

  • C22-H22-F3-N-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H22F3NO7/c1-11(28)26-17-20(31)19(30)16(10-27)33-21(17)32-15-8-4-13(5-9-15)18(29)12-2-6-14(7-3-12)22(23,24)25/h2-9,16-17,19-21,27,30-31H,10H2,1H3,(H,26,28)/t16-,17-,19-,20-,21-/m1/s1

InChIKey

IAHRHVHGDSTKTD-XGAGZNTDSA-N

Smiles

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)C(=O)c3ccc(cc3)C(F)(F)F)CO)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.