General Information of the Compound
| Compound ID |
CP0000063
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| Compound Name |
CAS_29790-52-1
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| Synonyms |
(-)-Nicotine solution
(2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine
(S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
(S)-(-)-Nicotine
(S)-3-(1-methylpyrrolidin-2-yl)pyridine
(S)-3-(N-methylpyrrolidin-2-yl)pyridine
(S)-Nicotine
3-(2-(N-methylpyrrolidinyl))pyridine
3-(N-Methylpyrollidino)pyridine
3-(N-Methylpyrrolidino)pyridine
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Beta-Pyridyl-alpha-N-methyl pyrrolidine
ENT 3,424
Habitrol
Habitrol (TN)
L(-)-nicotine
Micotine
NCT
NICOTINE AND SALTS
Nicoderm Patch
Nicorette (TN)
Nicotina [Italian]
Nicotine
Nicotine (USP)
Nicotine (compounds related to)
Nicotine Patch
Nicotine [BSI:ISO]
Nicotine [UN1654] [Poison]
Nicotine [USAN]
Nicotine replacement patch
Nicotine solution
Nictoine patch
Nikotin [German]
Nikotyna [Polish]
Transdermal Nicotine
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| Structure |
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| Formula |
C10H14N2
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| Molecular Weight |
162.236
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| Canonical SMILES |
CN1CCC[C@H]1c1cccnc1
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| InChI |
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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| InChIKey |
SNICXCGAKADSCV-JTQLQIEISA-N
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| CAS |
54-11-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03766, Acetylcholine receptor subunit alpha
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT06109, Geminin
Protein ID: PT06580, Neuronal acetylcholine receptor subunit alpha-2
Protein ID: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT07206, Neuronal acetylcholine receptor subunit alpha-4
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Protein ID: PT06157, Solute carrier family 22 member 1
Protein ID: PT04368, Solute carrier family 22 member 2
Protein ID: PT04242, Transient receptor potential cation channel subfamily A member 1
Clinical Information about the Compound