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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O7
Molecular Weight 484.5812
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHASONE 9,11-EPOXIDE 17,21-DIPROPIONATE

SMILES

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

InChI

InChIKey=BWSCDDHHJUGBSQ-XHYJHYNESA-N
InChI=1S/C28H36O7/c1-6-23(31)33-15-21(30)27(35-24(32)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-25(17,4)28(19)22(34-28)14-26(20,27)5/h10-11,13,16,19-20,22H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,22-,25-,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36O7
Molecular Weight 484.5812
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 10:44:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:44:53 GMT 2023
Record UNII
B79EV94J1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETAMETHASONE 9,11-EPOXIDE 17,21-DIPROPIONATE
Common Name English
BETAMETHASONE 9.BETA.,11.BETA.-EPOXIDE 17,21-DIPROPIONATE
Common Name English
9,11.BETA.-EPOXY-16.BETA.-METHYL-3,20-DIOXO-9.BETA.-PREGNA-1,4-DIENE-17,21-DIYL DIPROPANOATE
Systematic Name English
BECLOMETHASONE DIPROPIONATE IMPURITY J [EP IMPURITY]
Common Name English
BETAMETHASONE DIPROPIONATE IMPURITY F
Common Name English
BETAMETHASONE DIPROPIONATE RELATED COMPOUND F [USP-RS]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11-EPOXY-16-METHYL-17,21-BIS(1-OXOPROPOXY)-, (9.BETA.,11.BETA.,16.BETA.)-
Systematic Name English
9.BETA.,11.BETA.-EPOXYBETAMETHASONE DIPROPIONATE
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1067760
Created by admin on Sat Dec 16 10:44:53 GMT 2023 , Edited by admin on Sat Dec 16 10:44:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID10628431
Created by admin on Sat Dec 16 10:44:53 GMT 2023 , Edited by admin on Sat Dec 16 10:44:53 GMT 2023
PRIMARY
PUBCHEM
22821921
Created by admin on Sat Dec 16 10:44:53 GMT 2023 , Edited by admin on Sat Dec 16 10:44:53 GMT 2023
PRIMARY
FDA UNII
B79EV94J1X
Created by admin on Sat Dec 16 10:44:53 GMT 2023 , Edited by admin on Sat Dec 16 10:44:53 GMT 2023
PRIMARY
CAS
66917-44-0
Created by admin on Sat Dec 16 10:44:53 GMT 2023 , Edited by admin on Sat Dec 16 10:44:53 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP