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Substance Name: Pradimicin A methyl ester
RN: 148763-56-8
InChIKey: KVRZUSIBPGYYQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H46-N2-O18

Molecular Weight

  • 854.8104
 
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Names and Synonyms

Results Name

  • Pradimicin A methyl ester

Synonym

  • Pradimicin A methyl ester

Systematic Name

  • D-Alanine, N-((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)-, methyl ester, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148763-56-8

System Generated Number

  • 0148763568

Structure Descriptors

InChI

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

InChIKey

KVRZUSIBPGYYQX-UHFFFAOYSA-N

Smiles

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