KEGG   DRUG: Nicotine bitartrateHelp
Entry
D05156                      Drug                                   

Name
Nicotine bitartrate (USAN);
Nicotine bitartrate dihydrate
Formula
(C4H6O6)2. C10H14N2. 2H2O
Exact mass
498.1697
Mol weight
498.4358
Structure
Mol fileKCF fileDB search
Class
Other
 DG01718  Drugs for addictive disorder
  DG01715  Drugs for nicotine dependence
Metabolizing enzyme substrate
 DG01638  CYP2A6 substrate
Metabolizing enzyme inducer
 DG01637  CYP1A2 inducer
Remark
ATC code: N07BA01
Chemical structure group: DG00994
Product (DG00994): D03365<JP/US>
Efficacy
Smoking cessation adjunct
Comment
Treatment of smoking withdrawal syndrome
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa05033  Nicotine addiction
Metabolism
Enzyme: CYP2A6 [HSA:1548]
Interaction
CYP induction: CYP1A2 [HSA:1544]
Drug interaction
Brite
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
      D05156  Nicotine bitartrate (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D05156  Nicotine bitartrate (USAN)
BRITE hierarchy
Other DBs
PubChem: 47206880
ChEBI: 140115
DrugBank: DB00184
LigandBox: D05156
KCF data Show

ATOM        34
            1   C8x C     2.8141   -6.0996
            2   C8x C     2.8141   -7.5003
            3   N5x N     4.0271   -8.2007
            4   C8x C     5.2402   -7.5003
            5   C8y C     5.2402   -6.0996
            6   C8x C     4.0271   -5.3993
            7   C1y C     6.4720   -5.3883
            8   C1x C     7.7422   -5.9537
            9   C1x C     8.6726   -4.9203
            10  C1x C     7.9773   -3.7162
            11  N1y N     6.6172   -4.0054
            12  C1a C     5.5613   -3.0545
            13  O6a O    11.2931   -5.2506
            14  C6a C    12.5056   -5.9506
            15  C1c C    13.7181   -5.2506
            16  C1c C    14.9305   -5.9506
            17  C6a C    16.1431   -5.2506
            18  O6a O    17.3555   -5.9506
            19  O6a O    12.5056   -7.3505
            20  O1a O    13.7181   -3.8505
            21  O1a O    14.9305   -7.3506
            22  O6a O    16.1431   -3.8508
            23  O0  O    22.8200   -5.8100
            24  O6a O    11.2931   -5.2506
            25  C6a C    12.5056   -5.9506
            26  C1c C    13.7181   -5.2506
            27  C1c C    14.9305   -5.9506
            28  C6a C    16.1431   -5.2506
            29  O6a O    17.3555   -5.9506
            30  O6a O    16.1431   -3.8508
            31  O1a O    14.9305   -7.3506
            32  O1a O    13.7181   -3.8505
            33  O6a O    12.5056   -7.3505
            34  O0  O    22.8200   -5.8100
BOND        31
            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
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   14  19 2
            20   15  20 1 #Down
            21   16  21 1 #Down
            22   17  22 2
            23   24  25 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  33 2
            29   26  32 1 #Down
            30   27  31 1 #Down
            31   28  30 2
BRACKET     1     9.8700   -7.9800    9.8700   -2.7300
            1    18.9000   -2.7300   18.9000   -7.9800
            1  2
 ORIGINAL  1   13  14  15  16  17  18  22  21  20  19
 REPEAT    1   24  25  26  27  28  29  30  31  32  33
            2    20.6500   -6.7900   20.6500   -4.9000
            2    23.5200   -4.9000   23.5200   -6.7900
            2  2
 ORIGINAL  2   23
 REPEAT    2   34

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