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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31BrClFO5
Molecular Weight 557.877
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BROMOCLOBETASONE BUTYRATE

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)CCC)(C(=O)CCl)[C@@]1(C)CC(=O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C(Br)=C[C@]34C

InChI

InChIKey=HJMWRFQWUXHRAH-DWPQHFKNSA-N
InChI=1S/C26H31BrClFO5/c1-5-6-22(33)34-26(21(32)13-28)14(2)9-17-16-8-7-15-10-19(30)18(27)11-23(15,3)25(16,29)20(31)12-24(17,26)4/h10-11,14,16-17H,5-9,12-13H2,1-4H3/t14-,16-,17-,23-,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31BrClFO5
Molecular Weight 557.877
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:18:01 UTC 2023
Edited
by admin
on Sat Dec 16 18:18:01 UTC 2023
Record UNII
U3BD8ER86C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BROMOCLOBETASONE BUTYRATE
Common Name English
CLOBETASONE BUTYRATE IMPURITY D [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,11,20-TRIONE, 2-BROMO-21-CHLORO-9-FLUORO-16-METHYL-17-(1-OXOBUTOXY)-, (16.BETA.)-
Systematic Name English
2-BROMO-21-CHLORO-9-FLUORO-16.BETA.-METHYL-3,11,20-TRIOXOPREGNA-1,4-DIEN-17-YL BUTANOATE
Systematic Name English
Code System Code Type Description
FDA UNII
U3BD8ER86C
Created by admin on Sat Dec 16 18:18:01 UTC 2023 , Edited by admin on Sat Dec 16 18:18:01 UTC 2023
PRIMARY
CAS
639817-51-9
Created by admin on Sat Dec 16 18:18:01 UTC 2023 , Edited by admin on Sat Dec 16 18:18:01 UTC 2023
PRIMARY
PUBCHEM
156613815
Created by admin on Sat Dec 16 18:18:01 UTC 2023 , Edited by admin on Sat Dec 16 18:18:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP