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Details

Stereochemistry EPIMERIC
Molecular Formula C25H33BrO6
Molecular Weight 509.43
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9.ALPHA.-BROMOBUDESONIDE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Br)[C@@H](O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)CO

InChI

InChIKey=KSJCBAYFDFDDEM-QRXHXLOESA-N
InChI=1S/C25H33BrO6/c1-4-5-21-31-20-11-17-16-7-6-14-10-15(28)8-9-22(14,2)24(16,26)18(29)12-23(17,3)25(20,32-21)19(30)13-27/h8-10,16-18,20-21,27,29H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33BrO6
Molecular Weight 509.43
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:35:22 UTC 2023
Edited
by admin
on Thu Jul 06 23:35:22 UTC 2023
Record UNII
D7DSY2P2HX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9.ALPHA.-BROMOBUDESONIDE
Common Name English
16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-9.ALPHA.-BROMO-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
BUDESONIDE IMPURITY J [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-BROMO-16,17-(BUTYLIDENEBIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
D7DSY2P2HX
Created by admin on Thu Jul 06 23:35:22 UTC 2023 , Edited by admin on Thu Jul 06 23:35:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1A00690
Created by admin on Thu Jul 06 23:35:22 UTC 2023 , Edited by admin on Thu Jul 06 23:35:22 UTC 2023
PRIMARY
PUBCHEM
15391898
Created by admin on Thu Jul 06 23:35:22 UTC 2023 , Edited by admin on Thu Jul 06 23:35:22 UTC 2023
PRIMARY
CAS
313474-59-8
Created by admin on Thu Jul 06 23:35:22 UTC 2023 , Edited by admin on Thu Jul 06 23:35:22 UTC 2023
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
EP