| Entry |
|
|---|
| Name |
Nicotine bitartrate (USAN);
Nicotine bitartrate dihydrate |
|---|
| Formula |
(C4H6O6)2. C10H14N2. 2H2O
|
|---|
| Exact mass |
498.1697
|
|---|
| Mol weight |
498.44
|
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| Structure |
|
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| Class |
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
Metabolizing enzyme inducer
DG01637 CYP1A2 inducer
Unclassified
DG01715 Drugs for nicotine dependence
|
|---|
| Remark |
| Product (DG00994): | D03365<JP/US> |
|
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| Efficacy |
Smoking cessation adjunct |
|---|
| Comment |
Treatment of smoking withdrawal syndrome
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP2A6 [HSA: 1548]
|
|---|
| Interaction |
CYP induction: CYP1A2 [HSA: 1544]
|
|---|
| 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)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG00994 Nicotine
D05156 Nicotine bitartrate
Metabolizing enzyme inducer
DG01637 CYP1A2 inducer
DG00994 Nicotine
D05156 Nicotine bitartrate
Unclassified
DG01715 Drugs for nicotine dependence
DG00994 Nicotine
D05156 Nicotine bitartrate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Acetylcholine (nicotinic)
CHRN
D05156 Nicotine bitartrate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05156
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01638 CYP2A6 substrate
DG00994 Nicotine
Metabolizing enzyme inducer
DG01637 CYP1A2 inducer
DG00994 Nicotine
Unclassified
DG01715 Drugs for nicotine dependence
DG00994 Nicotine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
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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