(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide

Basic Information

View in Editor

CAS Number

76646-91-8

Molecular Formula

C8H9Br2NO5S

Molecular Weight

391.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

View in Editor

CC1(C(N2C(S1(=O)=O)C(C2=O)(Br)Br)C(=O)O)C

InChI

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

InChIKey

DZYBRGUNKNPEKM-BBIVZNJYSA-N

LogP

0.3010000000000002

Topological Polar Surface Area

91.75000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

521

Synonyms & References

English

EC 427-200-4
CHEMBL5201737
DTXSID90227466
SCHEMBL4614159
76646-91-8
SULBACTAM SODIUM IMPURITY E [EP IMPURITY]
6,6-Dibromopenicillanic Acid S,S-Dioxide
(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
6,6-Dibromopenicillanic acid sulfone
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
BDBM50605837
UNII-3KI73KUS8T
3KI73KUS8T
Q27257421
(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-; 6,6-Dibromopenicillanic acid 1,1-dioxide; 6,6-Dibromopenicillanic acid S,S-dioxide; Sulbactam EP Impurity E
A865437
Sulbactam sodium specified impurity E [EP]
DZYBRGUNKNPEKM-BBIVZNJYSA-N
(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide
6,6-DIBROMOPENICILLANIC ACID 1,1-DIOXIDE
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ<sup>6</sup>-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4
6,6-dibromo-1,1-dioxopenicillanic acid
6,6-dibromopenicil
6,6-dibromopenicillanic acid-1,1-dioxide
AC1LRT98
AG-H-05961
CTK2H6831
SureCN4614159

MDL Number

MFCD28137728

FAQ

What is (2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (CAS: 76646-91-8)?

This compound is a dibromo derivative of a specific azabicyclic carboxylic acid. It is characterized by its structural features including a 7-oxo-4-thia-1-azabicyclo[3.2.0]heptane core with two bromine atoms, a methyl group, and a carboxylic acid functional group.

What are the main uses of (2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (CAS: 76646-91-8)?

This compound is primarily used in pharmaceutical and research applications due to its unique chemical structure, which may offer specific biological or catalytic properties. It can be utilized as a precursor in the synthesis of other compounds with similar functional groups.

Is (2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (CAS: 76646-91-8) safe?

This compound should be handled with caution due to its chemical properties, including potential reactivity and toxicity. Proper safety measures, such as the use of appropriate personal protective equipment and ventilation, are recommended to ensure safety during handling and storage.

How should (2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide (CAS: 76646-91-8) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and sources of heat. It is recommended to use sealed containers to prevent moisture and contamination. Storage conditions should be monitored to ensure a stable and safe environment at all times.