2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium
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![2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8f3b6b011ffd45cebb7e27edda54d31a.png "2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium")
2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium
structure -
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CAS No:
138590-55-3
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Formula:
C24H30Br4N3O5+
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Chemical Name:
2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium
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Synonyms:
138590-55-3;PUREALIDINE B;DTXSID10930162;2-[3,5-Dibromo-4-(3-{[(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl)(hydroxy)methylidene]amino}propoxy)phenyl]-N,N,N-trimethylethan-1-aminium
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CAS No:
2-[3,5-dibromo-4-[3-[[(6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]propoxy]phenyl]ethyl-trimethylazanium Basic Attributes
760.1 g/mol
759.88780 g/mol
Computed Properties
Molecular Weight:760.1
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:759.88780
Monoisotopic Mass:755.89190
Topological Polar Surface Area:89.4
Heavy Atom Count:36
Formal Charge:1
Complexity:895
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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