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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O4
Molecular Weight 356.4562
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE

SMILES

C[C@@]1([H])C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(C(=O)CO)O

InChI

InChIKey=ZYTXTXAMMDTYDQ-AKXKBWEISA-N
InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16+,18-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28O4
Molecular Weight 356.4562
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.0623 µM [EC50]
Substance Class Chemical
Created
by admin
on Fri Jun 25 22:22:29 UTC 2021
Edited
by admin
on Fri Jun 25 22:22:29 UTC 2021
Record UNII
EIU1L09AID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE
Systematic Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16.BETA.)-
Systematic Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16.BETA.-METHYL-
Systematic Name English
BETAMETHASONE IMPURITY C [EP]
Common Name English
Code System Code Type Description
CAS
13504-15-9
Created by admin on Fri Jun 25 22:22:29 UTC 2021 , Edited by admin on Fri Jun 25 22:22:29 UTC 2021
PRIMARY
FDA UNII
EIU1L09AID
Created by admin on Fri Jun 25 22:22:29 UTC 2021 , Edited by admin on Fri Jun 25 22:22:29 UTC 2021
PRIMARY
PUBCHEM
395352
Created by admin on Fri Jun 25 22:22:29 UTC 2021 , Edited by admin on Fri Jun 25 22:22:29 UTC 2021
PRIMARY
ECHA (EC/EINECS)
236-830-7
Created by admin on Fri Jun 25 22:22:29 UTC 2021 , Edited by admin on Fri Jun 25 22:22:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP