CAS Registry Number®
1436872-65-9
CAS Name
Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1)
Molecular Formula
C25H34O9S.C6H15N
Other Names and Identifiers
InChI
InChI=1S/C25H34O9S.C6H15N/c1-4-5-21-33-20-11-17-16-7-6-14-10-15(26)8-9-23(14,2)22(16)18(27)12-24(17,3)25(20,34-21)19(28)13-32-35(29,30)31;1-4-7(5-2)6-3/h8-10,16-18,20-22,27H,4-7,11-13H2,1-3H3,(H,29,30,31);4-6H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+;/m0./s1
InChIKey
InChIKey=XFHVILJDWDHJDM-UQGKMEHISA-N
SMILES
C(COS(=O)(=O)O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H].N(CC)(CC)CC
Canonical SMILES
O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COS(=O)(=O)O)C4(C)CC(O)C32)CCC)C.N(CC)(CC)CC
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1)
- Budesonide 21-sulfate triethyl ammonium salt
