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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33ClO6
Molecular Weight 464.979
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BECLOMETASONE 21-PROPIONATE

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=OPNPEZLXXKGRTA-XGQKBEPLSA-N
InChI=1S/C25H33ClO6/c1-5-21(30)32-13-20(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 C25H33ClO6
Molecular Weight 464.979
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 Fri Dec 15 16:14:30 GMT 2023
Edited
by admin
on Fri Dec 15 16:14:30 GMT 2023
Record UNII
W48GW7Z9LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECLOMETASONE 21-PROPIONATE
Common Name English
BECLOMETHASONE DIPROPIONATE IMPURITY A [EP IMPURITY]
Common Name English
BECLOMETHASONE DIPROPIONATE RELATED COMPOUND A [USP-RS]
Common Name English
9-CHLORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIEN-21-YL PROPANOATE
Systematic Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-11,17-DIHYDROXY-16-METHYL-21-(1-OXOPROPOXY)-, (11.BETA.,16.BETA.)-
Systematic Name English
BECLOMETHASONE 21-MONOPROPIONATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
273-917-9
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
RS_ITEM_NUM
1048517
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
FDA UNII
W48GW7Z9LK
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
CAS
69224-79-9
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID20988917
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
PUBCHEM
9934186
Created by admin on Fri Dec 15 16:14:30 GMT 2023 , Edited by admin on Fri Dec 15 16:14:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE