6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid
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![6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d222eb92a35b4ace88f4e2dfd5e2e09f.png "6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid")
6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid
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CAS No:
5676-11-9
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Formula:
C20H16ClIN2O5
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Chemical Name:
6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid
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Synonyms:
5-{4-[(2-chlorobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione;DTXSID00362039;ZINC1197234;STL415799;AKOS001645364;MCULE-2576979899;5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-diazinane-2,4,6-trione
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CAS No:
6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid Basic Attributes
526.70891
525.979
DTXSID00362039
Computed Properties
Molecular Weight:526.7
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:525.97925
Monoisotopic Mass:525.97925
Topological Polar Surface Area:93.7
Heavy Atom Count:29
Complexity:651
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
6α-[[4-[Bis(2-chloroethyl)amino]benzoyl]amino]penicillanicacid
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