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Substance Name: Pradimicin A dimethylamide hydrate
RN: 133917-48-3
InChIKey: XRDGOJQMYMSYJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H49-N3-O17.3H2-O

Molecular Weight

  • 867.8531
 
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Names and Synonyms

Results Name

  • Pradimicin A dimethylamide hydrate

Synonym

  • Pradimicin A dimethylamide hydrate

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,N-dimethyl-, trihydrate, (5S-(2(S*),5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 133917-48-3

System Generated Number

  • 0133917483

Molecular Formulas

Molecular Formula

  • C42-H49-N3-O17.3H2-O

Molecular Formula Fragments

  • C42-H49-N3-O17
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C42H49N3O17/c1-13-8-20-26(33(52)23(13)39(56)44-14(2)40(57)45(5)6)25-18(11-19-27(34(25)53)30(49)17-9-16(58-7)10-21(46)24(17)29(19)48)31(50)37(20)61-42-36(55)38(28(43-4)15(3)60-42)62-41-35(54)32(51)22(47)12-59-41/h8-11,14-15,22,28,31-32,35-38,41-43,46-47,50-55H,12H2,1-7H3,(H,44,56)

InChIKey

XRDGOJQMYMSYJP-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c1C(=O)NC(C)C(=O)N(C)C)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.