(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/883fb1ad3cbe49a5ad56825c3b31e1bf.png "(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
57847-69-5
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Formula:
C16H16ClN3O5S
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Chemical Name:
(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
Cefedrolor;UNII-O3TY87KJII;O3TY87KJII;57847-69-5;(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefedrolor [INN];BMY 25154;SCHEMBL613926;Q27285291;(6R,7R)-7-((R)-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;(6R,7R)-7-((R)-2-Amino-2-(3-chloro-4-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid.
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CAS No:
(6R,7R)-7-[[(2R)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
397.8 g/mol
397.0499195 g/mol
O3TY87KJII
Computed Properties
Molecular Weight:397.8
XLogP3:-1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:397.0499195
Monoisotopic Mass:397.0499195
Topological Polar Surface Area:158
Heavy Atom Count:26
Complexity:672
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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