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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32ClFO5
Molecular Weight 478.981
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-O-ISOBUTYRYL CLOBETASONE

SMILES

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

InChI

InChIKey=KJKUAXYCSXHEGA-AVVSTMBFSA-N
InChI=1S/C26H32ClFO5/c1-14(2)22(32)33-26(21(31)13-27)15(3)10-19-18-7-6-16-11-17(29)8-9-23(16,4)25(18,28)20(30)12-24(19,26)5/h8-9,11,14-15,18-19H,6-7,10,12-13H2,1-5H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32ClFO5
Molecular Weight 478.981
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:02:28 UTC 2023
Edited
by admin
on Sat Dec 16 19:02:28 UTC 2023
Record UNII
JXX5P6ZHA3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-O-ISOBUTYRYL CLOBETASONE
Common Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 21-CHLORO-9-FLUORO-16-METHYL-17-(2-METHYL-1-OXOPROPOXY)-, (16.BETA.)-
Systematic Name English
CLOBETASONE BUTYRATE IMPURITY I [EP IMPURITY]
Common Name English
21-CHLORO-9-FLUORO-16.BETA.-METHYL-3,11,20-TRIOXOPREGNA-1,4-DIEN-17-YL 2-METHYLPROPANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
JXX5P6ZHA3
Created by admin on Sat Dec 16 19:02:28 UTC 2023 , Edited by admin on Sat Dec 16 19:02:28 UTC 2023
PRIMARY
CAS
639817-47-3
Created by admin on Sat Dec 16 19:02:28 UTC 2023 , Edited by admin on Sat Dec 16 19:02:28 UTC 2023
PRIMARY
PUBCHEM
156613988
Created by admin on Sat Dec 16 19:02:28 UTC 2023 , Edited by admin on Sat Dec 16 19:02:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP