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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32O6
Molecular Weight 428.518
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHASONE 9,11-EPOXIDE 17-PROPIONATE

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)C[C@@H]3O[C@]34[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=NBIYYIHMUGARAL-QYIVYLGBSA-N
InChI=1S/C25H32O6/c1-5-21(29)31-24(19(28)13-26)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)25(17)20(30-25)12-23(18,24)4/h8-9,11,14,17-18,20,26H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,20-,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32O6
Molecular Weight 428.518
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 Dec 16 10:46:25 GMT 2023
Edited
by admin
on Sat Dec 16 10:46:25 GMT 2023
Record UNII
0C7YPX71FQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAMETHASONE 9,11-EPOXIDE 17-PROPIONATE
Common Name English
9,11.BETA.-EPOXY-21-HYDROXY-16.BETA.-METHYL-3,20-DIOXO-9.BETA.-PREGNA-1,4-DIEN-17-YL PROPANOATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-EPOXY-21-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (9.BETA.,11.BETA.,16.BETA.)-
Systematic Name English
BECLOMETHASONE DIPROPIONATE IMPURITY U [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
22821922
Created by admin on Sat Dec 16 10:46:26 GMT 2023 , Edited by admin on Sat Dec 16 10:46:26 GMT 2023
PRIMARY
CAS
79578-39-5
Created by admin on Sat Dec 16 10:46:26 GMT 2023 , Edited by admin on Sat Dec 16 10:46:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID70628432
Created by admin on Sat Dec 16 10:46:26 GMT 2023 , Edited by admin on Sat Dec 16 10:46:26 GMT 2023
PRIMARY
FDA UNII
0C7YPX71FQ
Created by admin on Sat Dec 16 10:46:26 GMT 2023 , Edited by admin on Sat Dec 16 10:46:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP