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Cotinine N-oxide

Cotinine N-oxide structure

Cotinine N-oxide 

structure
  • CAS No:

    36508-80-2

  • Formula:

    C10H12N2O2

  • Chemical Name:

    Cotinine N-oxide

  • Synonyms:

    2-Pyrrolidinone,1-methyl-5-(1-oxido-3-pyridinyl)-,(5S)-;2-Pyrrolidinone,1-methyl-5-(3-pyridinyl)-,N-oxide,(S)-;(5S)-1-Methyl-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone;Cotinine N-oxide;2-Pyrrolidinone,1-methyl-5-(1-oxido-3-pyridinyl)-,(S)-;(5S)-1-Methyl-5-(1-oxidopyridin-1-ium-3-yl)pyrrolidin-2-one;3-[(2S)-1-Methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-olate

Cotinine N-oxide Basic Attributes

192.21400

192.21

2933990090

Characteristics

45.77000

1.34630

1.26g/cm3

116-117ºC

475.4ºC at 760mmHg

241.3ºC

1.615

Drug Information

Cotinine N-oxide is a known thirdhand smoke metabolite of Nicotine.

cotinine-1-N-oxide

Computed Properties

Molecular Weight:192.21
XLogP3:-1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:192.089877630
Monoisotopic Mass:192.089877630
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:232
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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