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Substance Name: Pradimicin A butylamide
RN: 133917-52-9
InChIKey: CHRWHHYWUUDVEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H53-N3-O17

Molecular Weight

  • 895.9067
 
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Names and Synonyms

Results Name

  • Pradimicin A butylamide

Synonym

  • Pradimicin A butylamide

Systematic Name

  • Propanamide, N-butyl-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)-, (5S-(2(S*),5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 133917-52-9

System Generated Number

  • 0133917529

Structure Descriptors

InChI

1S/C44H53N3O17/c1-7-8-9-46-41(58)16(3)47-42(59)25-15(2)10-22-28(35(25)54)27-20(13-21-29(36(27)55)32(51)19-11-18(60-6)12-23(48)26(19)31(21)50)33(52)39(22)63-44-38(57)40(30(45-5)17(4)62-44)64-43-37(56)34(53)24(49)14-61-43/h10-13,16-17,24,30,33-34,37-40,43-45,48-49,52-57H,7-9,14H2,1-6H3,(H,46,58)(H,47,59)

InChIKey

CHRWHHYWUUDVEP-UHFFFAOYSA-N

Smiles

CCCCNC(=O)C(C)NC(=O)c1c(cc2c(c1O)-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)C

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.