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Substance Name: Validamycin E
RN: 12650-71-4
InChIKey: MSZAIRLAOKNKFW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C26-H45-N-O18

Molecular Weight

  • 659.63
 
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Names and Synonyms

Results Name

  • Validamycin E

Synonyms

  • BRN 4631911
  • Validamycin E

Systematic Name

  • D-chiro-Inositol, O-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

Registry Numbers

CAS Registry Number

  • 12650-71-4

System Generated Number

  • 0012650714

Structure Descriptors

InChI

1S/C26H45NO18/c28-3-7-1-9(14(33)17(36)13(7)32)27-10-2-8(4-29)23(19(38)15(10)34)44-26-22(41)20(39)24(12(6-31)43-26)45-25-21(40)18(37)16(35)11(5-30)42-25/h1,8-41H,2-6H2

InChIKey

MSZAIRLAOKNKFW-UHFFFAOYSA-N

Smiles

C(O)C1=C[C@@H](N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](C2)CO)O[C@@H]2[C@@H](O)[C@@H]([C@@H]([C@@H](CO)O2)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)O)O)CO)O)O)O)[C@@H](O)[C@@H]([C@@H]1O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4089947,