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Substance Name: 6-Hydroxybudesonide
RN: 88411-77-2
UNII: 0J80E95H99
InChIKey: JBVVDXJXIDYDMF-GVTADUIWSA-N

Note

  • Metabolite of budesonide.

Molecular Formula

  • C25-H34-O7

Molecular Weight

  • 446.5366
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxybudesonide

Synonyms

  • 6beta-Hydroxybudesonide
  • UNII-0J80E95H99

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 16,17-(butylidenebis(oxy))-6,11,21-trihydroxy-, (6beta,11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 88411-77-2

FDA UNII

  • 0J80E95H99

System Generated Number

  • 0088411772

Structure Descriptors

InChI

1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3/t14-,15-,17+,18-,20+,21?,22+,23-,24-,25+/m0/s1

InChIKey

JBVVDXJXIDYDMF-GVTADUIWSA-N

Smiles

CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O