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Substance Name: Pradimicin T1
RN: 149598-64-1
InChIKey: GVEWVQWSVLNZPE-BSAXXBFRSA-N

Note

  • Produced by an actinomycete strain AA3798.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H45-N-O23

Molecular Weight

  • 931.8015
 
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Names and Synonyms

Name of Substance

  • Pradimicin T1

Synonym

  • Pradimicin T1

Systematic Name

  • Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-(beta-L-xylopyranosyloxy)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 149598-64-1

System Generated Number

  • 0149598641

Structure Descriptors

InChI

1S/C42H45NO23/c1-10-3-16-24(32(55)21(10)39(60)43-7-20(47)48)23-14(29(52)37(16)65-42-36(59)38(26(49)11(2)63-42)66-41-35(58)31(54)19(46)9-62-41)6-15-25(33(23)56)28(51)13-4-12(5-17(44)22(13)27(15)50)64-40-34(57)30(53)18(45)8-61-40/h3-6,11,18-19,26,29-31,34-38,40-42,44-46,49,52-59H,7-9H2,1-2H3,(H,43,60)(H,47,48)/t11-,18+,19-,26+,29+,30-,31+,34+,35-,36-,37+,38+,40-,41+,42+/m1/s1

InChIKey

GVEWVQWSVLNZPE-BSAXXBFRSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCC(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)O[C@@H]6[C@H]([C@@H]([C@H](CO6)O)O)O)[C@@H]([C@H]2O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 589, 1993.