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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33FO7
Molecular Weight 464.5247
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHASONE 21-(ETHYL CARBONATE)

SMILES

CCOC(=O)OCC(=O)[C@]1([C@@]([H])(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@]3([C@]([H])(C[C@@]21C)O)F)O

InChI

InChIKey=UMCZRAWDVZIYTD-XGQKBEPLSA-N
InChI=1S/C25H33FO7/c1-5-32-21(30)33-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H33FO7
Molecular Weight 464.5247
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 02:21:45 UTC 2021
Edited
by admin
on Sat Jun 26 02:21:45 UTC 2021
Record UNII
26764AL880
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAMETHASONE 21-(ETHYL CARBONATE)
Common Name English
BETAMETHASONE IMPURITY D [EP]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 21-((ETHOXYCARBONYL)OXY)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-, (11.BETA.,16.BETA.)-
Systematic Name English
9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-21-YL ETHOXYCARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
52619-05-3
Created by admin on Sat Jun 26 02:21:45 UTC 2021 , Edited by admin on Sat Jun 26 02:21:45 UTC 2021
PRIMARY
EPA CompTox
52619-05-3
Created by admin on Sat Jun 26 02:21:45 UTC 2021 , Edited by admin on Sat Jun 26 02:21:45 UTC 2021
PRIMARY
PUBCHEM
71587167
Created by admin on Sat Jun 26 02:21:45 UTC 2021 , Edited by admin on Sat Jun 26 02:21:45 UTC 2021
PRIMARY
FDA UNII
26764AL880
Created by admin on Sat Jun 26 02:21:45 UTC 2021 , Edited by admin on Sat Jun 26 02:21:45 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP