U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O4
Molecular Weight 356.4553
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

[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

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 356.4553
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 Sat Dec 16 07:34:15 UTC 2023
Edited
by admin
on Sat Dec 16 07:34:15 UTC 2023
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
BETAMETHASONE IMPURITY C [EP IMPURITY]
Common Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 17,21-DIHYDROXY-16.BETA.-METHYL-
Systematic Name English
Code System Code Type Description
CAS
13504-15-9
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
FDA UNII
EIU1L09AID
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
PUBCHEM
395352
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID80892344
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
ECHA (EC/EINECS)
236-830-7
Created by admin on Sat Dec 16 07:34:15 UTC 2023 , Edited by admin on Sat Dec 16 07:34:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP