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Substance Name: Bafilomycin B1
RN: 88899-56-3
InChIKey: KFUFLYSBMNNJTF-MZYUNMTESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H65-N-O13

Molecular Weight

  • 815.992
 
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Names and Synonyms

Name of Substance

  • Bafilomycin B1

Synonyms

  • Bafilomycin B1
  • BRN 4640118
  • Setamycin

Systematic Name

  • Hygrolidin, 37-decarboxy-2-demethyl-37-(((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)carbonyl)-2-methoxy-24-methyl-

Registry Numbers

CAS Registry Number

  • 88899-56-3

System Generated Number

  • 0088899563

Structure Descriptors

InChI

1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21+/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1

InChIKey

KFUFLYSBMNNJTF-MZYUNMTESA-N

Smiles

C(\C=C\C(=O)NC1=C(CCC1=O)O)(=O)O[C@@H]1C[C@@](O[C@@H]([C@H]1C)C(C)C)([C@H]([C@@H]([C@H](C)[C@@H]1OC(C(=CC(=C[C@H]([C@H]([C@H](CC(=CC=C[C@@H]1OC)C)C)O)C)C)OC)=O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1250ug/kg (1.25mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1253, 1981.