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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O6
Molecular Weight 376.4434
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-HYDROXYPREDNISOLONE

SMILES

[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=SEKYBDYVXDAYPY-ILNISADRSA-N
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O6
Molecular Weight 376.4434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Jul 05 23:23:51 UTC 2023
Edited
by admin
on Wed Jul 05 23:23:51 UTC 2023
Record UNII
SW97540DC2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-HYDROXYPREDNISOLONE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,16,17,21-TETRAHYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
BUDESONIDE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
SW97540DC2
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
CAS
13951-70-7
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
RS_ITEM_NUM
1A00880
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID20930496
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
237-731-1
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
PUBCHEM
11047056
Created by admin on Wed Jul 05 23:23:51 UTC 2023 , Edited by admin on Wed Jul 05 23:23:51 UTC 2023
PRIMARY
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