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Substance Name: Methanone, (4-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(2-chlorophenyl)-
RN: 83357-06-6
InChIKey: XZECAAXYABUBCD-XGAGZNTDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N-O7

Molecular Weight

  • 435.8578
 
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Names and Synonyms

Synonym

  • (4-((2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)phenyl)(2-chlorophenyl)methanone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83357-06-6

System Generated Number

  • 0083357066

Structure Descriptors

InChI

1S/C21H22ClNO7/c1-11(25)23-17-20(28)19(27)16(10-24)30-21(17)29-13-8-6-12(7-9-13)18(26)14-4-2-3-5-15(14)22/h2-9,16-17,19-21,24,27-28H,10H2,1H3,(H,23,25)/t16-,17-,19-,20-,21-/m1/s1

InChIKey

XZECAAXYABUBCD-XGAGZNTDSA-N

Smiles

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)C(=O)c3ccccc3Cl)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.