(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester

HCID 13279731CAS 85573-73-5

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Basic information

Standard SMILES
C[C@@]1(CCl)S[C@@H]2CC(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1
InChIKey
JCCKXLWAWRUWBK-LMNJBCLMSA-N
Molecular formula
C21H20ClNO3S
Average molar mass
401.91 g/mol

Names & identifiers

Preferred name
(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester
English name
(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester
Molecular formula
C21H20ClNO3S
Molecular weight
401.91

Names & synonyms

Tazobactam chlorideTazobactam Acid Impurity 34Tazobactam Acid Impurity 16(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester(2S,5R)-3α-Chloromethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid benzhydryl ester2S-(2α,3β,5α)]-3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(chloromethyl)-3-methyl-7-oxo-, diphenylmethyl ester, (2S,3R,5R)-

Database identifiers

CAS
85573-73-5
PubChem CID
13279731
UNII
N3FZV4ADG6
Nikkaji
J381.672I

Properties

Physicochemical properties

Boiling point
565.1 · 565.1±50.0 °C(Predicted)
Density
1.36 · 1.36±0.1 g/cm3(Predicted)
pka
-3.84 · -3.84±0.60(Predicted)
FDA UNII
3 FZV4ADG6 · N3FZV4ADG6

Chemistry & industry

Applications · 1 item

Uses[2S-(2α,3β,5α)]-3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester is an intermediate used in the synthesis of Tazobactam Sodium Salt-15N3 (T010103), which is a β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.

Suppliers22 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]
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]

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