(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c6a4b69e9e764edf8409941f32df14c2.png "(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
52231-20-6
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Formula:
C20H22N4O4S
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Chemical Name:
(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
3-methyl-7-(4-(1,4,5,6-tetrahydro-2-pyrimidyl)phenylacetamido)-delta(3)-cephalosporanic acid;HR 580;HR-580;Cefrotil;52231-20-6;UNII-44P98H0A27;44P98H0A27;(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefrotilum;Cefrotilo;Cefrotil [INN];Cefrotilum [INN-Latin];Cefrotilo [INN-Spanish];SCHEMBL614083;CHEMBL2104140;DTXSID30200278;ZINC4215260;HR 580;HR-580;Q27258761;(6R,7R)-3-Methyl-8-oxo-7-(2-(p-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;3-methyl-7-(4-(1,4,5,6-tetrahydro-2-pyrimidyl)phenylacetamido)-delta(3)-cephalosporanic acid;3-Methyl-8-oxo-7-(((4-(1,4,5,6R-trans-tetrahydro-2-pyrimidinyl)phenyl)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetyl)amino)-, (6R,7R)-
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CAS No:
(6R,7R)-3-methyl-8-oxo-7-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
414.5 g/mol
414.13617637 g/mol
44P98H0A27
DTXSID30200278
Drug Information
3-methyl-7-(4-(1,4,5,6-tetrahydro-2-pyrimidyl)phenylacetamido)-delta(3)-cephalosporanic acid
Computed Properties
Molecular Weight:414.5
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:414.13617637
Monoisotopic Mass:414.13617637
Topological Polar Surface Area:136
Heavy Atom Count:29
Complexity:772
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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