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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O6
Molecular Weight 468.5818
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4,9(11)-TRIENE-17,21-DIYL DIPROPANOATE

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=KNGUDUPXAJGVDW-RILJZRPXSA-N
InChI=1S/C28H36O6/c1-6-24(31)33-16-23(30)28(34-25(32)7-2)17(3)14-22-20-9-8-18-15-19(29)10-12-26(18,4)21(20)11-13-27(22,28)5/h10-12,15,17,20,22H,6-9,13-14,16H2,1-5H3/t17-,20+,22-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36O6
Molecular Weight 468.5818
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:54 UTC 2023
Edited
by admin
on Sat Dec 16 09:32:54 UTC 2023
Record UNII
P5563U2BR6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4,9(11)-TRIENE-17,21-DIYL DIPROPANOATE
Systematic Name English
BECLOMETHASONE DIPROPIONATE IMPURITY I [EP IMPURITY]
Common Name English
(16.BETA.)-16-METHYL-17,21-BIS(1-OXOPROPOXY)-PREGNA-1,4,9(11)-TRIENE-3,20-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
P5563U2BR6
Created by admin on Sat Dec 16 09:32:54 UTC 2023 , Edited by admin on Sat Dec 16 09:32:54 UTC 2023
PRIMARY
CAS
52092-12-3
Created by admin on Sat Dec 16 09:32:54 UTC 2023 , Edited by admin on Sat Dec 16 09:32:54 UTC 2023
PRIMARY
PUBCHEM
12790154
Created by admin on Sat Dec 16 09:32:54 UTC 2023 , Edited by admin on Sat Dec 16 09:32:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP