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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 16,17-[Ethylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione, (11?,16?)-

SMILES

CC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)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

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:44:49 GMT 2025
Edited
by admin
on Wed Apr 02 05:44:49 GMT 2025
Record UNII
NI0AGY81EG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16,17-[Ethylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione, (11?,16?)-
Systematic Name English
BUDESONIDE ACETALDEHYDE ACETAL (EPIMERS)
Preferred Name English
Pregna-1,4-diene-3,20-dione, 16,17-[ethylidenebis(oxy)]-11,21-dihydroxy-, (11?,16?)-
Systematic Name English
(11?,16?)-16,17-[Ethylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione
Systematic Name English
16?,17-(Ethylidenebis(oxy))-11?,21-dihydroxypregna-1,4-diene-3,20-dione
Systematic Name English
BUDESONIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1A00510
Created by admin on Wed Apr 02 05:44:49 GMT 2025 , Edited by admin on Wed Apr 02 05:44:49 GMT 2025
PRIMARY
CAS
1040085-98-0
Created by admin on Wed Apr 02 05:44:49 GMT 2025 , Edited by admin on Wed Apr 02 05:44:49 GMT 2025
PRIMARY
PUBCHEM
13298167
Created by admin on Wed Apr 02 05:44:49 GMT 2025 , Edited by admin on Wed Apr 02 05:44:49 GMT 2025
PRIMARY
FDA UNII
NI0AGY81EG
Created by admin on Wed Apr 02 05:44:49 GMT 2025 , Edited by admin on Wed Apr 02 05:44:49 GMT 2025
PRIMARY
Related Record Type Details
Structure of Budesonide
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of Budesonide
PARENT -> IMPURITY
Limit includes both epimers
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
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