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

Details

Stereochemistry EPIMERIC
Molecular Formula C29H39FO7
Molecular Weight 518.6142
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2′RS)-9-Fluoro-11β-hydroxy-2′-methyl-3,20-dioxo-(16βH)-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 3,3-dimethylbutanoate

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)O2)C(=O)COC(=O)CC(C)(C)C

InChI

InChIKey=IIGAWJYMDOXWAD-PGOWERLPSA-N
InChI=1S/C29H39FO7/c1-16-36-23-12-20-19-8-7-17-11-18(31)9-10-26(17,5)28(19,30)21(32)13-27(20,6)29(23,37-16)22(33)15-35-24(34)14-25(2,3)4/h9-11,16,19-21,23,32H,7-8,12-15H2,1-6H3/t16?,19-,20-,21-,23+,26-,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H39FO7
Molecular Weight 518.6142
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:26:54 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:54 GMT 2023
Record UNII
P7H4FD2FQG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2′RS)-9-Fluoro-11β-hydroxy-2′-methyl-3,20-dioxo-(16βH)-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 3,3-dimethylbutanoate
Common Name English
TRIAMCINOLONE HEXACETONIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
166177202
Created by admin on Sat Dec 16 18:26:54 GMT 2023 , Edited by admin on Sat Dec 16 18:26:54 GMT 2023
PRIMARY
FDA UNII
P7H4FD2FQG
Created by admin on Sat Dec 16 18:26:54 GMT 2023 , Edited by admin on Sat Dec 16 18:26:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP