(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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![(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7580f8ad6c724235acebf8b6ba970fb8.png "(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
52727-70-5
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Formula:
C21H20N8O4S2
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Chemical Name:
(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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Synonyms:
7-(o-aminomethylphenylacetamido)-3-(tetrazolo(4,5-b)pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acid;BB-S 226;BB-S-226;52727-70-5;BB-S-226;BB-S 226;BB-S226;DTXSID50967179;(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-(o-Aminomethylphenylacetamido)-3-(tetrazolo(4,5-b)pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acid;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-(aminomethyl)phenyl)acetyl)amino)-8-oxo-3-((tetrazolo(1,5-b)pyridazin-6-ylthio)methyl)-, (6R-trans)-;7-({2-[2-(Aminomethyl)phenyl]-1-hydroxyethylidene}amino)-8-oxo-3-{[(tetrazolo[1,5-b]pyridazin-6-yl)sulfanyl]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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CAS No:
(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Basic Attributes
512.6 g/mol
512.10489350 g/mol
Drug Information
7-(o-aminomethylphenylacetamido)-3-(tetrazolo(4,5-b)pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acid
Computed Properties
Molecular Weight:512.6
XLogP3:-2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:512.10489350
Monoisotopic Mass:512.10489350
Topological Polar Surface Area:219
Heavy Atom Count:35
Complexity:891
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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