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Substance Name: Pradimicin A methylamide
RN: 133917-51-8
InChIKey: VANOHTYKXIEDHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H47-N3-O17

Molecular Weight

  • 853.8263
 
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Names and Synonyms

Results Name

  • Pradimicin A methylamide

Synonym

  • Pradimicin A methylamide

Systematic Name

  • Propanamide, 2-(((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-N-methyl-, (5S-(2(S*),5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 133917-51-8

System Generated Number

  • 0133917518

Structure Descriptors

InChI

InChI=1S/C41H47N3O17/c1-12-7-19-25(32(51)22(12)39(56)44-13(2)38(55)43-5)24-17(10-18-26(33(24)52)29(48)16-8-15(57-6)9-20(45)23(16)28(18)47)30(49)36(19)60-41-35(54)37(27(42-4)14(3)59-41)61-40-34(53)31(50)21(46)11-58-40/h7-10,13-14,21,27,30-31,34-37,40-42,45-46,49-54H,11H2,1-6H3,(H,43,55)(H,44,56)

InChIKey

VANOHTYKXIEDHU-UHFFFAOYSA-N

Smiles

CNC1C(C)OC(OC2C(O)c3cc4C(=O)c5c(O)cc(OC)cc5C(=O)c4c(O)c3c6c(O)c(C(=O)NC(C)C(=O)NC)c(C)cc26)C(O)C1OC7OCC(O)C(O)C7O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 494, 1993.