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Substance Name: Pradimicin A amide
RN: 133917-50-7
InChIKey: HFZYHAGDSBUGMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H45-N3-O17

Molecular Weight

  • 839.7995
 
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Names and Synonyms

Results Name

  • Pradimicin A amide

Synonym

  • Pradimicin A amide

Systematic Name

  • Benzo(a)naphthacene-2-carboxamide, N-(2-amino-1-methyl-2-oxoethyl)-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-dioxo-, (5S-(2(S*),5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 133917-50-7

System Generated Number

  • 0133917507

Structure Descriptors

InChI

1S/C40H45N3O17/c1-11-6-18-24(31(50)21(11)38(55)43-12(2)37(41)54)23-16(9-17-25(32(23)51)28(47)15-7-14(56-5)8-19(44)22(15)27(17)46)29(48)35(18)59-40-34(53)36(26(42-4)13(3)58-40)60-39-33(52)30(49)20(45)10-57-39/h6-9,12-13,20,26,29-30,33-36,39-40,42,44-45,48-53H,10H2,1-5H3,(H2,41,54)(H,43,55)

InChIKey

HFZYHAGDSBUGMD-UHFFFAOYSA-N

Smiles

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

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.