(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-morpholin-4-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-morpholin-4-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/20220812/3a9cbbed030547d894fc9febd4d8de68.png "(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-morpholin-4-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-morpholin-4-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:
47739-42-4
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Formula:
C27H40N3O4+
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Chemical Name:
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-morpholin-4-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:
47739-42-4;(17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-morpholinopropyl)ajmalanium;Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-
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CAS No:
(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-morpholin-4-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
470.6 g/mol
470.30188177 g/mol
Computed Properties
Molecular Weight:470.6
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:470.30188177
Monoisotopic Mass:470.30188177
Topological Polar Surface Area:76.4
Heavy Atom Count:34
Formal Charge:1
Complexity:809
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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