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Substance Name: L-Alanyl pradimicin A
RN: 148763-59-1
InChIKey: SZUMKGXXHSNVTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H49-N3-O19

Molecular Weight

  • 911.8621
 
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Names and Synonyms

Results Name

  • L-Alanyl pradimicin A

Synonym

  • L-Alanyl pradimicin A

Systematic Name

  • L-Alanine, N-(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)-D-alanyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148763-59-1

System Generated Number

  • 0148763591

Structure Descriptors

InChI

1S/C43H49N3O19/c1-12-7-20-26(33(53)23(12)40(58)45-13(2)39(57)46-14(3)41(59)60)25-18(10-19-27(34(25)54)30(50)17-8-16(61-6)9-21(47)24(17)29(19)49)31(51)37(20)64-43-36(56)38(28(44-5)15(4)63-43)65-42-35(55)32(52)22(48)11-62-42/h7-10,13-15,22,28,31-32,35-38,42-44,47-48,51-56H,11H2,1-6H3,(H,45,58)(H,46,57)(H,59,60)

InChIKey

SZUMKGXXHSNVTC-UHFFFAOYSA-N

Smiles

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