Basic information
- Standard SMILES
CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1=O- InChIKey
AZIUCAWYSMPKQK-HVHNRQALSA-N- Molecular formula
- C21H21NO4S
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- (2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
- IUPAC
- benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- English name
- (2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide
- Molecular formula
- C21H21NO4S
- Molecular weight
- 383.466
Names & synonyms
87579-78-0(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideBenzhydryl 6,6-dihydropenicillic acid 1-oxide[Tazobactam intermediate]MFCD11044527benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideTazobactam Impurity 4(2S,5R)-3,3-dimethyl-7-oxo-4-oxide-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl EsterBenzhydryl 6,6-dihydropenicillic acid 1-oxideTazobactam Acid Impurity 24(2S,5R)-2beta-[(Benzhydryloxy)carbonyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane4-oxide123285-28-9
Show more names
Tazobactam Impurity 49TazobactamAcidImpurity41Tazobactam Acid Impurity 23(2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide
SCHEMBL11174186DTXSID50466738EX-A1376AKOS015999672(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid diphenylmethyl ester 4-oxideDS-17758SY225976CS-0028578
Database identifiers
- CAS
76911-24-5- Nikkaji
- J381.677J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 604
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
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