| Entry |
|
|---|
| Name |
Quinine ascorbate (USAN);
Quinine biascorbate |
|---|
| Formula |
C20H24N2O2. (C6H8O6)2
|
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| Exact mass |
676.248
|
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| Mol weight |
676.665
|
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| Structure |
|
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| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG01019): | D02262<US> |
|
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| Efficacy |
Smoking cessation adjunct |
|---|
| Comment |
Methanolquinoline
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
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| Structure map |
| map07016 | Sulfonamide derivatives - sulfa drugs |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BC Methanolquinolines
P01BC01 Quinine
D05681 Quinine ascorbate (USAN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D05681 Quinine ascorbate
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D05681 Quinine ascorbate
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D05681 Quinine ascorbate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D05681
Drug transporters
D05681
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 48
1 C8y C 15.8336 -25.6617
2 C8y C 17.0509 -24.9653
3 C8y C 15.8276 -27.0607
4 C8x C 14.6279 -24.9593
5 C1c C 17.0568 -23.5663
6 C8x C 18.2624 -25.6676
7 C8x C 14.6279 -27.7629
8 N5x N 17.0392 -27.7629
9 C8y C 13.4104 -25.6617
10 C1y C 18.2741 -22.8699
11 O1a O 15.8453 -22.8582
12 C8x C 18.2566 -27.0722
13 C8x C 13.4104 -27.0607
14 O2a O 12.1988 -24.9593
15 N1y N 19.7082 -21.9978
16 C1x C 17.5426 -21.8338
17 C1a C 12.1988 -23.5605
18 C1x C 19.7082 -20.7628
19 C1x C 21.2065 -22.7996
20 C1y C 18.9530 -20.9968
21 C1y C 18.9590 -20.0078
22 C1x C 20.5100 -21.6934
23 C2b C 18.4321 -18.7084
24 C2a C 19.2925 -17.6021
25 C1y C 28.1031 -24.7276
26 C2y C 28.5512 -26.0488
27 O7x O 29.2380 -23.9126
28 C2y C 29.9540 -26.0488
29 C7x C 30.3731 -24.7450
30 O1a O 30.7863 -27.1781
31 O6a O 31.3568 -23.7497
32 C1c C 26.8954 -24.0304
33 C1b C 25.6876 -24.7276
34 O1a O 27.7353 -27.1874
35 O1a O 26.8951 -22.6191
36 O1a O 24.4540 -24.0155
37 C1y C 28.1031 -24.7276
38 C2y C 28.5512 -26.0488
39 C2y C 29.9540 -26.0488
40 O1a O 30.7863 -27.1781
41 C7x C 30.3731 -24.7450
42 O7x O 29.2380 -23.9126
43 O6a O 31.3568 -23.7497
44 O1a O 27.7353 -27.1874
45 C1c C 26.8954 -24.0304
46 C1b C 25.6876 -24.7276
47 O1a O 24.4540 -24.0155
48 O1a O 26.8951 -22.6191
BOND 51
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 14 17 1
17 15 18 1
18 15 19 1
19 16 20 1
20 18 21 1
21 19 22 1
22 21 23 1 #Up
23 23 24 2
24 8 12 2
25 9 13 2
26 20 21 1
27 20 22 1
28 25 26 1
29 25 27 1
30 26 28 2
31 27 29 1
32 28 30 1
33 29 31 2
34 28 29 1
35 25 32 1 #Up
36 32 33 1
37 26 34 1
38 32 35 1
39 33 36 1
40 37 38 1
41 37 42 1
42 38 39 2
43 42 41 1
44 39 40 1
45 41 43 2
46 39 41 1
47 37 45 1 #Up
48 45 46 1
49 38 44 1
50 45 48 1
51 46 47 1
BRACKET 1 23.1000 -28.2100 23.1000 -21.4900
1 32.5500 -21.4900 32.5500 -28.2100
1 2
ORIGINAL 1 26 27 29 31 30 28 32 35 33 34 37 36
REPEAT 1 38 39 40 41 42 43 44 45 46 47 48 49
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