| Entry |
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| Name |
Nicotine;
(S)-3-(1-Methylpyrrolidin-2-yl)pyridine;
(S)-Nicotine
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| Formula |
C10H14N2
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| Exact mass |
162.1157
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| Mol weight |
162.2316
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| Structure |
     |
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| Remark |
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| Reaction |
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| Pathway |
| Tropane, piperidine and pyridine alkaloid biosynthesis | | Metabolism of xenobiotics by cytochrome P450 | | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid | | Metabolic pathways | | Biosynthesis of secondary metabolites | | Nicotine addiction |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from nicotinic acid
Pyridine alkaloids
C00745 Nicotine
Pesticides [BR:br08007]
Pesticides
Insecticides
Others
C00745 Nicotine
Natural toxins [BR:br08009]
Phytotoxins
Alkaloids
Others
C00745 Nicotine
Target-based classification of compounds [BR:br08010]
Ion channels
Cys-loop superfamily
Acetylcholine (nicotinic)
nicotinic cholinergic receptor
C00745 Nicotine
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N07 OTHER NERVOUS SYSTEM DRUGS
N07B DRUGS USED IN ADDICTIVE DISORDERS
N07BA Drugs used in nicotine dependence
N07BA01 Nicotine
D03365 Nicotine (USP)
USP drug classification [BR:br08302]
Anti-Addiction/Substance Abuse Treatment Agents
Smoking Cessation Agents
Nicotine
D03365 Nicotine (USP)
Therapeutic category of drugs in Japan [BR:br08301]
7 Agents not mainly for therapeutic purpose
79 Other agents not mainly for therapeutic purpose
799 Miscellaneous
7990 Miscellaneous
D03365 Nicotine (USP)
Classification of Japanese OTC drugs [BR:br08313]
Stop smoking aid
77 Stop smoking aid
D03365 Nicotine (USP)
Risk category of Japanese OTC drugs [BR:br08312]
First-class OTC drugs
Inorganic and organic chemicals
Nicotine
D03365 Nicotine (USP)
Designated second-class OTC drugs
Inorganic and organic chemicals
Nicotine
D03365 Nicotine (USP)
Second-class OTC drugs
Inorganic and organic chemicals
Nicotine
D03365 Nicotine (USP)
Cytochrome P450 interactions [BR:br08309]
CYP substrates
CYP1A2
Nicotine
D03365 Nicotine (USP)
CYP2A6
Nicotine
D03365 Nicotine (USP)
Phytochemicals used as drugs [BR:br08306]
Alkaloids
Alkaloids derived from nicotinic acid
Pyridine alkaloids
D03365 Nicotine (USP)
Rx-to-OTC switch list in the USA [br08315.html]
D03365
Rx-to-OTC switch list in Japan [br08314.html]
D03365
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| Other DBs |
CAS: 54-11-5 PubChem: ChEBI: ChEMBL: KNApSAcK: PDB-CCD: 3DMET: NIKKAJI: |
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| LinkDB |
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| KCF data |
ATOM 12
1 C8x C 29.1900 -17.5700
2 C8x C 29.1900 -18.9700
3 N5x N 30.3800 -19.6700
4 C8x C 31.6400 -18.9700
5 C8y C 31.6400 -17.5700
6 C8x C 30.3800 -16.8700
7 C1y C 32.8300 -16.8700
8 C1x C 34.1600 -17.2200
9 C1x C 35.0000 -16.1000
10 C1x C 34.0900 -14.9800
11 N1y N 32.8300 -15.4700
12 C1a C 31.6400 -14.7000
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 5 1 #Up
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 11 12 1
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