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Substance Name: N,N-Dimethylpradimicin C
RN: 127985-24-4
InChIKey: VMZLKUVXZLGMLL-IIOFOUJLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H46-N2-O18

Molecular Weight

  • 854.81
 
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Names and Synonyms

Name of Substance

  • N,N-Dimethylpradimicin C

Synonym

  • N,N-Dimethylpradimicin C

Systematic Name

  • D-Alanine, N-((5-((4,6-dideoxy-4-(dimethylamino)-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)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 127985-24-4

System Generated Number

  • 0127985244

Structure Descriptors

InChI

1S/C41H46N2O18/c1-12-7-19-25(32(50)22(12)38(54)42-13(2)39(55)56)24-17(10-18-26(33(24)51)29(47)16-8-15(57-6)9-20(44)23(16)28(18)46)30(48)36(19)60-41-35(53)37(27(43(4)5)14(3)59-41)61-40-34(52)31(49)21(45)11-58-40/h7-10,13-14,21,27,30-31,34-37,40-41,44-45,48-53H,11H2,1-6H3,(H,42,54)(H,55,56)/t13?,14?,21?,27?,30-,31?,34?,35?,36-,37?,40?,41?/m0/s1

InChIKey

VMZLKUVXZLGMLL-IIOFOUJLSA-N

Smiles

c12c(C(=O)c3c(C1=O)cc(OC)cc3O)cc1c(c3c(cc(c(c3O)C(N[C@@H](C(=O)O)C)=O)C)[C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@@H](O[C@@H]3[C@@H]([C@@H](O)[C@@H](CO3)O)O)[C@@H]([C@@H](O1)C)N(C)C)O)c2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 85mg/kg (85mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1230, 1990.