4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
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![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c0df8607703846efbd3ccb374eb411cf.png "4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)")
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
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CAS No:
119290-50-5
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Formula:
C16H20N2.2C16H19N3O5S
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Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1)
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-,[2S-[2α,5α,6β(S*)]]-,compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1);1,2-Ethanediamine,N,N′-bis(phenylmethyl)-,bis[[2S-[2α,5α,6β(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate];Benzathine amoxicillin (1:2);Benzathine amoxicillin
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CAS No:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-, compd. with N,N′-bis(phenylmethyl)-1,2-ethanediamine (2:1) Basic Attributes
971.2 g/mol
970.37173242 g/mol
Computed Properties
Molecular Weight:971.2
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:15
Exact Mass:970.37173242
Monoisotopic Mass:970.37173242
Topological Polar Surface Area:341
Heavy Atom Count:68
Complexity:762
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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