8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-
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![8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e503ee2c067b4ecfb4ba8ae3778fdc0a.png "8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-")
8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-
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CAS No:
5937-29-1
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Formula:
C18H24NO4.I
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Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)-
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Synonyms:
8-Azoniabicyclo[3.2.1]octane,3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-,iodide (1:1),(1R,2R,3S,5S)-;1αH,5αH-Tropanium,2β-carboxy-3β-hydroxy-8-methyl-,iodide,methyl ester,benzoate;8-Azoniabicyclo[3.2.1]octane,3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-,iodide,[1R-(exo,exo)]-;8-Azoniabicyclo[3.2.1]octane,3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-,iodide,(1R,2R,3S,5S)-;Cocaine methiodide;(-)-Cocaine methiodide
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CAS No:
8-Azoniabicyclo[3.2.1]octane, 3-(benzoyloxy)-2-(methoxycarbonyl)-8,8-dimethyl-, iodide (1:1), (1R,2R,3S,5S)- Basic Attributes
445.3 g/mol
445.07501 g/mol
83FKO5XD6J
Drug Information
(1R,2R,3S,5S)-3-benzoyloxy-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane-2-carboxylic acid methyl ester iodide
Computed Properties
Molecular Weight:445.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:445.07501
Monoisotopic Mass:445.07501
Topological Polar Surface Area:52.6
Heavy Atom Count:24
Complexity:470
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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