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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29FO5
Molecular Weight 392.4619
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 14-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-8.ALPHA.,9.BETA.,14.BETA.-PREGNA-1,4-DIENE-3,20-DIONE

SMILES

C[C@@]1([H])C[C@@]2([C@@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@]3([H])[C@]([H])(C[C@]2(C)[C@]1(C(=O)CO)O)O)F

InChI

InChIKey=OXYIPQGDQCLIAE-RNGLRLRGSA-N
InChI=1S/C22H29FO5/c1-12-9-21(23)15-5-4-13-8-14(25)6-7-19(13,2)18(15)16(26)10-20(21,3)22(12,28)17(27)11-24/h6-8,12,15-16,18,24,26,28H,4-5,9-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29FO5
Molecular Weight 392.4619
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 Sat Jun 26 06:12:32 UTC 2021
Edited
by admin
on Sat Jun 26 06:12:32 UTC 2021
Record UNII
D5P9N1W189
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
14-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-8.ALPHA.,9.BETA.,14.BETA.-PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 14-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,16.BETA.)-
Systematic Name English
BETAMETHASONE IMPURITY H [EP]
Common Name English
Code System Code Type Description
EPA CompTox
185613-71-2
Created by admin on Sat Jun 26 06:12:32 UTC 2021 , Edited by admin on Sat Jun 26 06:12:32 UTC 2021
PRIMARY
PUBCHEM
71587604
Created by admin on Sat Jun 26 06:12:32 UTC 2021 , Edited by admin on Sat Jun 26 06:12:32 UTC 2021
PRIMARY
FDA UNII
D5P9N1W189
Created by admin on Sat Jun 26 06:12:32 UTC 2021 , Edited by admin on Sat Jun 26 06:12:32 UTC 2021
PRIMARY
CAS
185613-71-2
Created by admin on Sat Jun 26 06:12:32 UTC 2021 , Edited by admin on Sat Jun 26 06:12:32 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP