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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H9Br2NO5S
Molecular Weight 391.034
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,6-DIBROMOPENICILLANIC ACID SULFONE

SMILES

[H][C@@]12N([C@@H](C(O)=O)C(C)(C)S1(=O)=O)C(=O)C2(Br)Br

InChI

InChIKey=DZYBRGUNKNPEKM-BBIVZNJYSA-N
InChI=1S/C8H9Br2NO5S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)17(7,15)16/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H9Br2NO5S
Molecular Weight 391.034
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:36:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:36:38 GMT 2023
Record UNII
3KI73KUS8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,6-DIBROMOPENICILLANIC ACID SULFONE
Common Name English
SULBACTAM SODIUM IMPURITY E [EP IMPURITY]
Common Name English
SULBACTAM RELATED COMPOUND E
USP-RS  
Common Name English
SULBACTAM RELATED COMPOUND E [USP IMPURITY]
Common Name English
(2S,5R)-6,6-DIBROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID 4,4-DIOXIDE
Systematic Name English
6,6-DIBROMOPENICILLANIC ACID 1,1-DIOXIDE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6,6-DIBROMO-3,3-DIMETHYL-7-OXO-, 4,4-DIOXIDE, (2S,5R)-
Systematic Name English
SULBACTAM RELATED COMPOUND E [USP-RS]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90227466
Created by admin on Sat Dec 16 08:36:39 GMT 2023 , Edited by admin on Sat Dec 16 08:36:39 GMT 2023
PRIMARY
CAS
76646-91-8
Created by admin on Sat Dec 16 08:36:39 GMT 2023 , Edited by admin on Sat Dec 16 08:36:39 GMT 2023
PRIMARY
RS_ITEM_NUM
1623783
Created by admin on Sat Dec 16 08:36:39 GMT 2023 , Edited by admin on Sat Dec 16 08:36:39 GMT 2023
PRIMARY
PUBCHEM
1427720
Created by admin on Sat Dec 16 08:36:39 GMT 2023 , Edited by admin on Sat Dec 16 08:36:39 GMT 2023
PRIMARY
FDA UNII
3KI73KUS8T
Created by admin on Sat Dec 16 08:36:39 GMT 2023 , Edited by admin on Sat Dec 16 08:36:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY