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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 8-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-8.ALPHA.,9.BETA.-PREGNA-1,4-DIENE-3,20-DIONE

SMILES

C[C@@]1([H])C[C@]2([H])[C@](C)(C[C@@]([H])([C@@]3([H])[C@@]4(C)C=CC(=O)C=C4CC[C@]23F)O)[C@]1(C(=O)CO)O

InChI

InChIKey=UVPVITLWBGFEET-NPFJHFETSA-N
InChI=1S/C22H29FO5/c1-12-8-16-20(3,22(12,28)17(27)11-24)10-15(26)18-19(2)6-5-14(25)9-13(19)4-7-21(16,18)23/h5-6,9,12,15-16,18,24,26,28H,4,7-8,10-11H2,1-3H3/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 02:05:19 UTC 2021
Edited
by admin
on Sat Jun 26 02:05:19 UTC 2021
Record UNII
71SLU9RKCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-8.ALPHA.,9.BETA.-PREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
BETAMETHASONE IMPURITY I [EP]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 8-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (8.ALPHA.,9.BETA.,11.BETA.,16.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
185613-69-8
Created by admin on Sat Jun 26 02:05:19 UTC 2021 , Edited by admin on Sat Jun 26 02:05:19 UTC 2021
PRIMARY
PUBCHEM
71587603
Created by admin on Sat Jun 26 02:05:19 UTC 2021 , Edited by admin on Sat Jun 26 02:05:19 UTC 2021
PRIMARY
CAS
185613-69-8
Created by admin on Sat Jun 26 02:05:19 UTC 2021 , Edited by admin on Sat Jun 26 02:05:19 UTC 2021
PRIMARY
FDA UNII
71SLU9RKCB
Created by admin on Sat Jun 26 02:05:19 UTC 2021 , Edited by admin on Sat Jun 26 02:05:19 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP