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Substance Name: Pradimicin A pivaloyloxymethyl ester
RN: 148763-58-0
InChIKey: GYCXDYUWDRPIKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H54-N2-O20

Molecular Weight

  • 954.9266
 
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Names and Synonyms

Results Name

  • Pradimicin A pivaloyloxymethyl ester

Synonym

  • Pradimicin A pivaloyloxymethyl 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)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148763-58-0

System Generated Number

  • 0148763580

Structure Descriptors

InChI

1S/C46H54N2O20/c1-15-9-22-28(35(55)25(15)41(59)48-16(2)42(60)64-14-65-45(61)46(4,5)6)27-20(12-21-29(36(27)56)32(52)19-10-18(62-8)11-23(49)26(19)31(21)51)33(53)39(22)67-44-38(58)40(30(47-7)17(3)66-44)68-43-37(57)34(54)24(50)13-63-43/h9-12,16-17,24,30,33-34,37-40,43-44,47,49-50,53-58H,13-14H2,1-8H3,(H,48,59)

InChIKey

GYCXDYUWDRPIKW-UHFFFAOYSA-N

Smiles

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