6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide
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![6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6720fee359054ae1a1bd808b2928bb37.png "6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide")
6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide
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CAS No:
77943-74-9
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Formula:
C28H26N2O5S
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Chemical Name:
6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide
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Synonyms:
6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Benzhydryl Ester 4-Oxide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(benzoylamino)-3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide, [2S-(2α,4α,5α,6β)]- (9CI)
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CAS No:
6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide Basic Attributes
502.58
502.15624311
6-BenzaMido-3,3-diMethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicAcidBenzhydrylEster4-Oxide Use and Manufacturing
6-Benzamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Benzhydryl Ester 4-Oxide is an intermediate in the synthesis of oxacephem derived beta-lactam antibiotic that is particularly effective against gram-positive bacteria.
Computed Properties
Molecular Weight:502.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:502.15624311
Monoisotopic Mass:502.15624311
Topological Polar Surface Area:112
Heavy Atom Count:36
Complexity:855
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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