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Details

Stereochemistry EPIMERIC
Molecular Formula C23H30O6
Molecular Weight 402.4807
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.,17-(ETHYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE

SMILES

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

InChI

InChIKey=XECSEFPWNHDQPG-XWCIIUPVSA-N
InChI=1S/C23H30O6/c1-12-28-19-9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,3)23(19,29-12)18(27)11-24/h6-8,12,15-17,19-20,24,26H,4-5,9-11H2,1-3H3/t12?,15-,16-,17-,19+,20+,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H30O6
Molecular Weight 402.4807
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 21:03:26 UTC 2023
Edited
by admin
on Thu Jul 06 21:03:26 UTC 2023
Record UNII
NI0AGY81EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.,17-(ETHYLIDENEBIS(OXY))-11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(ETHYLIDENEBIS(OXY))-11,21-DIHYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
BUDESONIDE IMPURITY B [EP IMPURITY]
Common Name English
BUDESONIDE ACETALDEHYDE ACETAL (EPIMERS)
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1A00510
Created by admin on Thu Jul 06 21:03:26 UTC 2023 , Edited by admin on Thu Jul 06 21:03:26 UTC 2023
PRIMARY
CAS
1040085-98-0
Created by admin on Thu Jul 06 21:03:26 UTC 2023 , Edited by admin on Thu Jul 06 21:03:26 UTC 2023
PRIMARY
PUBCHEM
13298167
Created by admin on Thu Jul 06 21:03:26 UTC 2023 , Edited by admin on Thu Jul 06 21:03:26 UTC 2023
PRIMARY
FDA UNII
NI0AGY81EG
Created by admin on Thu Jul 06 21:03:26 UTC 2023 , Edited by admin on Thu Jul 06 21:03:26 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