Basic information
- CAS
26631-90-3- Standard SMILES
CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O- InChIKey
DAVPSCAAXXVSFU-ALEPSDHESA-N- Molecular formula
- C8H10BrNO3S
- Average molar mass
- 280.14 g/mol
- Monoisotopic mass
- 278.95648
Overview
Brobactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Brobactam is a ẞ-lactamase inhibitor. Brobactam has a monoisotopic molecular weight of 278.96 Da.
Names & identifiers
- Preferred name
- (2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
- IUPAC
- (2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- brobactam
- Molecular formula
- C8H10BrNO3S
- Molecular weight
- 280.14
Names & synonyms
Brobactam26631-90-36-Bromopenicillanic acid(2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidBrobactamum6I6JCF8EOE(2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidDTXSID90181175RefChem:1214736 beta-bromopenicillanic acidDTXCID00103666247-856-3
Show more names
Brobactam 99%Shubatan impurity DSulbactam EP ImpurityCibenzoline Impurity DSulbactam Sodium EP Impurity D4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Brobactam [INN]Sulbactam EP Impurity DBrobactamum [Latin]UNII-6I6JCF8EOEEINECS 247-856-3SULBACTAM SODIUM IMPURITY D [EP IMPURITY]CHEMBL73622SCHEMBL669135
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 462.6 · 462.6±45.0 °C(Predicted)
- Density
- 1.84 · 1.84
- pka
- 2.43 · 2.43±0.50(Predicted)
- FDA UNII
- 6 I6JCF8EOE · 6I6JCF8EOE
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationEndogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES.
Applications
UsesBrobactam is a potent semi-synthetic β-lactamase inhibitor as well as an impurity of Sulbactam (S699185).
Upstream & downstream products
Upstream raw materials
Suppliers43 total
广州朗欧生物科技有限公司15876533741 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
深圳鼎邦化学品有限公司15616500668 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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