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Details

Stereochemistry MIXED
Molecular Formula C22H27FO4
Molecular Weight 374.4466
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHAZONE ENOL ALDEHYDE Z-ISOMER

SMILES

C[C@@]/1([H])CC2([H])C3([H])CCC4=CC(=O)C=C[C@]4(C)[C@]3([C@]([H])(C[C@]2(C)\C1=C(\C=O)/O)O)F

InChI

InChIKey=TYYMPHSFTLTHRI-HPHSSAEMSA-N
InChI=1S/C22H27FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,11-12,15-16,18,26-27H,4-5,8,10H2,1-3H3/b19-17-/t12-,15?,16?,18-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27FO4
Molecular Weight 374.4466
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:44:04 UTC 2021
Edited
by admin
on Sat Jun 26 02:44:04 UTC 2021
Record UNII
4B6YP6SG3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAMETHAZONE ENOL ALDEHYDE Z-ISOMER
Common Name English
PREGNA-1,4,17(20)-TRIEN-21-AL, 9-FLUORO-11,20-DIHYDROXY-16-METHYL-3-OXO-, (11.BETA.,16.BETA.,17Z)-
Systematic Name English
(11.BETA.,16.BETA.,17Z)-9-FLUORO-11,20-DIHYDROXY-16-METHYL-3-OXOPREGNA-1,4,17(20)-TRIEN-21-AL
Systematic Name English
BETAMETHASONE-(Z)-ENOLALDEHYDE
Common Name English
Code System Code Type Description
PUBCHEM
71776459
Created by admin on Sat Jun 26 02:44:04 UTC 2021 , Edited by admin on Sat Jun 26 02:44:04 UTC 2021
PRIMARY
CAS
52647-06-0
Created by admin on Sat Jun 26 02:44:04 UTC 2021 , Edited by admin on Sat Jun 26 02:44:04 UTC 2021
PRIMARY
FDA UNII
4B6YP6SG3P
Created by admin on Sat Jun 26 02:44:04 UTC 2021 , Edited by admin on Sat Jun 26 02:44:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> DEGRADENT
When catalyzed by sulfuric acid only.
PARENT -> DEGRADENT
Direct degradation mechanism.