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Substance Name: Tubacin
RN: 537049-40-4
UNII: 02C2G1D30D
InChIKey: BHUZLJOUHMBZQY-YXQOSMAKSA-N

Note

  • Inhibits histone deacetylase 6.

Classification Codes

  • Enzyme Inhibitors
  • Histone Deacetylase Inhibitors

Molecular Formula

  • C41-H43-N3-O7-S

Molecular Weight

  • 721.8707
 
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Names and Synonyms

Name of Substance

  • Tubacin

Synonyms

  • Octanediamide, N1-(4-((2R,4R,6S)-4-(((4,5-diphenyl-2-oxazolyl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1,3-dioxan-2-yl)phenyl)-N8-hydroxy-, rel-
  • Tubacin
  • UNII-02C2G1D30D

Registry Numbers

CAS Registry Number

  • 537049-40-4

FDA UNII

  • 02C2G1D30D

System Generated Number

  • 0537049404

Structure Descriptors

InChI

1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1

InChIKey

BHUZLJOUHMBZQY-YXQOSMAKSA-N

Smiles

c1ccc(cc1)c2c(oc(n2)SC[C@H]3C[C@H](O[C@H](O3)c4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)CO)c6ccccc6