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

HCID 90371
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Basic information

CAS
24138-28-1
Standard SMILES
CC1(C)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(=O)O
InChIKey
DAVPSCAAXXVSFU-RVJQKOHUSA-N
Molecular formula
C8H10BrNO3S
Average molar mass
280.143 g/mol
Monoisotopic mass
278.95647628

Names & identifiers

Preferred name
(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
(2S,5R,6S)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
English name
[2S-(2alpha,5alpha,6alpha)]-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular formula
C8H10BrNO3S
Molecular weight
280.14

Names & synonyms

Tazobactam Impurity 16Einecs 246-028-9Tazobactam bromideSulbactam Impurity 1Sulbactam Impurity HSulbactam Impurity 15-BromopenicillanicAcid6α-Bromopenicillanic AcidTazobactam Acid Impurity 156Alpha-Bromopenicillanic Acid

Database identifiers

CAS
24138-28-1
PubChem CID
90371
DTXSID
DTXSID101122521
UNII
WFQ67H4L2M
EC Number
246-028-9
Nikkaji
J242.738I

Properties

Physicochemical properties

Boiling point
462.6 · 462.6±45.0 °C(Predicted)
Density
1.84 · 1.84±0.1 g/cm3(Predicted)
solubility
Methanol
form
Solid
pka
2.43 · 2.43±0.50(Predicted)
color
Brown

Chemistry & industry

Applications · 1 item

Uses6α-Bromopenicillanic acid is an intermediate in the synthesis of Tazobactam Sodium Salt-13C2,15N1, which is the labelled analogue of Tazobactam Sodium Salt (T010100), which is a β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.

Upstream & downstream products

Suppliers30 total

济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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