(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
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![(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cb3927f3df704608aec66b543343999b.png "(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol")
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
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CAS No:
47719-73-3
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Formula:
C27H40N3O3+
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Chemical Name:
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
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Synonyms:
BRN 4043544;47719-73-3;(17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)ajmalanium;Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-pyrrolidinopropyl)-, (17R,21-alpha)-
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CAS No:
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol Basic Attributes
454.6 g/mol
454.30696715 g/mol
Computed Properties
Molecular Weight:454.6
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:454.30696715
Monoisotopic Mass:454.30696715
Topological Polar Surface Area:67.2
Heavy Atom Count:33
Formal Charge:1
Complexity:791
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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