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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36BrClO7
Molecular Weight 599.938
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-BROMO-BECLOMETHASONE DIPROPIONATE

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]3(Cl)[C@@]2([H])C[C@H](Br)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=BSGQBFGKJSUQPK-DXABFYDXSA-N
InChI=1S/C28H36BrClO7/c1-6-23(34)36-14-22(33)28(37-24(35)7-2)15(3)10-17-18-12-20(29)19-11-16(31)8-9-25(19,4)27(18,30)21(32)13-26(17,28)5/h8-9,11,15,17-18,20-21,32H,6-7,10,12-14H2,1-5H3/t15-,17-,18-,20-,21-,25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36BrClO7
Molecular Weight 599.938
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:16 UTC 2023
Edited
by admin
on Sat Dec 16 08:57:16 UTC 2023
Record UNII
BL5X7EQH6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-BROMO-BECLOMETHASONE DIPROPIONATE
Common Name English
6.ALPHA.-BROMO-9-CHLORO-11.BETA.-HYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-17,21-DIYL DIPROPANOATE
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 6-BROMO-9-CHLORO-11-HYDROXY-16-METHYL-17,21-BIS(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.BETA.)-
Common Name English
BECLOMETHASONE DIPROPIONATE IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50747216
Created by admin on Sat Dec 16 08:57:16 UTC 2023 , Edited by admin on Sat Dec 16 08:57:16 UTC 2023
PRIMARY
CAS
887130-69-0
Created by admin on Sat Dec 16 08:57:16 UTC 2023 , Edited by admin on Sat Dec 16 08:57:16 UTC 2023
PRIMARY
PUBCHEM
71314215
Created by admin on Sat Dec 16 08:57:16 UTC 2023 , Edited by admin on Sat Dec 16 08:57:16 UTC 2023
PRIMARY
FDA UNII
BL5X7EQH6W
Created by admin on Sat Dec 16 08:57:16 UTC 2023 , Edited by admin on Sat Dec 16 08:57:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP