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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O7
Molecular Weight 446.5333
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-(BUTYRYLOXY)PREDNISOLONE

SMILES

[H][C@@]12C[C@@H](OC(=O)CCC)[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=MNVQDRXNQLFAHB-OTUUEPHNSA-N
InChI=1S/C25H34O7/c1-4-5-21(30)32-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31)19(29)13-26/h8-10,16-18,20,22,26,28,31H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,22+,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34O7
Molecular Weight 446.5333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:38:14 UTC 2023
Edited
by admin
on Thu Jul 06 16:38:14 UTC 2023
Record UNII
Y8WU33GU4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.ALPHA.-(BUTYRYLOXY)PREDNISOLONE
Common Name English
BUDESONIDE IMPURITY I [EP IMPURITY]
Common Name English
11.BETA.,17,21-TRIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-16.ALPHA.-YL BUTANOATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-16-(1-OXOBUTOXY)-, (11.BETA.,16.ALPHA.)-
Systematic Name English
16.ALPHA.-HYDROXYPREDNISOLONE 16-BUTYRATE
Common Name English
(11.BETA.,16.ALPHA.)-11,17,21-TRIHYDROXY-16-(1-OXOBUTOXY)PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
129318440
Created by admin on Thu Jul 06 16:38:14 UTC 2023 , Edited by admin on Thu Jul 06 16:38:14 UTC 2023
PRIMARY
FDA UNII
Y8WU33GU4G
Created by admin on Thu Jul 06 16:38:14 UTC 2023 , Edited by admin on Thu Jul 06 16:38:14 UTC 2023
PRIMARY
CAS
113930-13-5
Created by admin on Thu Jul 06 16:38:14 UTC 2023 , Edited by admin on Thu Jul 06 16:38:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP