4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 2-(diethylamino)ethyl ester, hydriodide
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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 2-(diethylamino)ethyl ester, hydriodide
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CAS No:
7778-19-0
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Formula:
C22H31N3O4S.xHI
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 2-(diethylamino)ethyl ester, hydriodide
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,2-(diethylamino)ethyl ester,hydriodide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,2-(diethylamino)ethyl ester,hydriodide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-,2-(diethylamino)ethyl ester,hydriodide;Benzylpenicillin G diethylaminoethyl ester hydriodide
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, 2-(diethylamino)ethyl ester, hydriodide Basic Attributes
561.5 g/mol
561.11583 g/mol
DTXSID30274772
Computed Properties
Molecular Weight:433.6
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:433.20352765
Monoisotopic Mass:433.20352765
Topological Polar Surface Area:104
Heavy Atom Count:30
Complexity:646
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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