(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

HCID 10551995CAS 80353-26-0

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](Br)[C@H]2S1=O
InChIKey
MHQYJIDSSLKVOK-OCZDZXRVSA-N
Molecular formula
C21H20BrNO4S
Average molar mass
462.365 g/mol
Monoisotopic mass
461.02964122

Names & identifiers

Preferred name
(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
IUPAC
Diphenylmethyl (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
English name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide, (2S,5R,6S)-
Molecular formula
C21H20BrNO4S
Molecular weight
462.36

Names & synonyms

Tazobactam Impurity YTazobactam Impurity 34TazobactamAcidImpurity40Tazobactam Acid Impurity 226α-bromopenicillan-3α-carboxylic acid diphenylmethyl ester-1β-oxide(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxyla(2S,5R,6S)-Benzhydryl 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate(2S,5R,6S)-Benzhydryl 6-broMo-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxidebenzhydryl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide(2S,5R,6S)-6-BROMO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER, 4-OXIDE

Database identifiers

CAS
80353-26-0
PubChem CID
10551995
DTXSID
DTXSID20441618
Nikkaji
J779.351K

Properties

Physicochemical properties

Boiling point
629.1 · 629.1±55.0 °C(Predicted)
Density
1.58 · 1.58±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
soluble in Dichloromethane
pka
-6.06 · -6.06±0.70(Predicted)
form
Solid

Chemistry & industry

Applications · 1 item

Uses6-Bromo-3,3-dimethyl-7-oxo-4-oxide-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester 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.

Suppliers29 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…