4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
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![4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c4d20ed75cbc4ffbb3c80bf0e439c881.png "4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid")
4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
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CAS No:
79731-87-6
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Formula:
C27H38BrN2O8+
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Chemical Name:
4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid
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Synonyms:
NSC306109;79731-87-6;NSC-306109
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CAS No:
4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;2,3-dihydroxybutanedioic acid Basic Attributes
598.5 g/mol
597.18115 g/mol
306109
Computed Properties
Molecular Weight:598.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:597.18115
Monoisotopic Mass:597.18115
Topological Polar Surface Area:159
Heavy Atom Count:38
Formal Charge:1
Complexity:811
Undefined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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