Cocaine N-Oxide
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Cocaine N-Oxide
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CAS No:
72182-46-8
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Formula:
C17H21NO5
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Chemical Name:
Cocaine N-Oxide
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Synonyms:
Cocaine N-Oxide;(1R,2R,3S,5S)-3-(Benzoyloxy)-8-Methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester 8-Oxide;[1R-(exo,exo)]-3-(Benzoyloxy)-8-Methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester 8-Oxide;CQWXYUZZXCRUDE-UHFFFAOYSA-N
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CAS No:
Cocaine N-Oxide Use and Manufacturing
A thermally labile metabolite of Cocaine (C633500). Controlled Substance.
Computed Properties
Molecular Weight:319.4
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:319.14197277
Monoisotopic Mass:319.14197277
Topological Polar Surface Area:70.7
Heavy Atom Count:23
Complexity:476
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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