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Details

Stereochemistry EPIMERIC
Molecular Formula C27H36O7
Molecular Weight 472.5705
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUDESONIDE 21-ACETATE

SMILES

[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=QZIYSFVNRMBENV-PONRWWDOSA-N
InChI=1S/C27H36O7/c1-5-6-23-33-22-12-19-18-8-7-16-11-17(29)9-10-25(16,3)24(18)20(30)13-26(19,4)27(22,34-23)21(31)14-32-15(2)28/h9-11,18-20,22-24,30H,5-8,12-14H2,1-4H3/t18-,19-,20-,22+,23?,24+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H36O7
Molecular Weight 472.5705
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 7 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:37:37 UTC 2023
Edited
by admin
on Thu Jul 06 16:37:37 UTC 2023
Record UNII
4AZ2VA5QDS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUDESONIDE 21-ACETATE
Common Name English
(11.BETA.,16.ALPHA.)-21-(ACETYLOXY)-16,17-(BUTYLIDENEBIS(OXY))-11-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
21-(ACETOXY)-16.ALPHA.,17.ALPHA.-(BUTYLIDENEDIOXY)-11.BETA.-HYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
16.ALPHA.,17-((1RS)-BUTYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-21-ACETATE
Systematic Name English
BUDESONIDE IMPURITY K [EP IMPURITY]
Common Name English
BUDESONIDE 21-ACETATE (EPIMERS) [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
4AZ2VA5QDS
Created by admin on Thu Jul 06 16:37:37 UTC 2023 , Edited by admin on Thu Jul 06 16:37:37 UTC 2023
PRIMARY
PUBCHEM
13298228
Created by admin on Thu Jul 06 16:37:37 UTC 2023 , Edited by admin on Thu Jul 06 16:37:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID70535536
Created by admin on Thu Jul 06 16:37:37 UTC 2023 , Edited by admin on Thu Jul 06 16:37:37 UTC 2023
PRIMARY
CAS
51333-05-2
Created by admin on Thu Jul 06 16:37:37 UTC 2023 , Edited by admin on Thu Jul 06 16:37:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
Limit includes both epimers.
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP