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Substance Name: Endusamycin
RN: 100242-41-9
UNII: XE5GN2P1IT
InChIKey: IXZQKHXEQYZXTP-RATZTJMHSA-N

Note

  • Polycyclic ether; produced by Streptomyces endus subsp aureus.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H78-O14

Molecular Weight

  • 867.1192
 
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Names and Synonyms

Name of Substance

  • Endusamycin

Synonyms

  • CP 63517
  • Endusamycin
  • UNII-XE5GN2P1IT

Systematic Name

  • Dianemycin, 19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-15-((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-, (15(2S,5S,6R))-

Registry Numbers

CAS Registry Number

  • 100242-41-9

FDA UNII

  • XE5GN2P1IT

System Generated Number

  • 0100242419

Structure Descriptors

InChI

1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42+,44-,45+,46+,47-/m1/s1

InChIKey

IXZQKHXEQYZXTP-RATZTJMHSA-N

Smiles

CO[C@H]1CC[C@H](O[C@@H]2C[C@]3(C[C@H](O)[C@@H](C)[C@H](O3)[C@@H](C)\C=C(/C)\C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@]2(C)[C@H]4CC[C@@H](C)[C@@]5(O[C@H](C[C@@H]5C)[C@H]6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)O4)O[C@@H]1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 7500ug/kg (7.5mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 37, 1989.