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Substance Name: N,N-Dimethylpradimicin E
RN: 127985-23-3
InChIKey: UKUPYHQDSAALDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H44-N2-O18.3/2H2-O

Molecular Weight

  • 840.7836
 
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Names and Synonyms

Name of Substance

  • N,N-Dimethylpradimicin E

Synonym

  • N,N-Dimethylpradimicin E

Systematic Name

  • Glycine, N-((5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-beta-D-galatopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, hydrate (2:3)

Registry Numbers

CAS Registry Number

  • 127985-23-3

System Generated Number

  • 0127985233

Molecular Formulas

Molecular Formula

  • C40-H44-N2-O18.3/2H2-O

Molecular Formula Fragments

  • C40-H44-N2-O18
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C40H44N2O18/c1-12-6-18-25(32(51)22(12)38(55)41-10-21(45)46)24-16(9-17-26(33(24)52)29(48)15-7-14(56-5)8-19(43)23(15)28(17)47)30(49)36(18)59-40-35(54)37(27(42(3)4)13(2)58-40)60-39-34(53)31(50)20(44)11-57-39/h6-9,13,20,27,30-31,34-37,39-40,43-44,49-54H,10-11H2,1-5H3,(H,41,55)(H,45,46)

InChIKey

UKUPYHQDSAALDA-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)C(C2OC6C(C(C(C(O6)C)N(C)C)OC7C(C(C(CO7)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 600mg/kg (600mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1230, 1990.