| Entry |
|
|---|
| Name |
Quinine hydrochloride hydrate (JP18);
Quinine hydrochloride dihydrate;
Quinine hydrochloride (TN) |
|---|
| Formula |
C20H24N2O2. 2H2O. HCl
|
|---|
| Exact mass |
396.1816
|
|---|
| Mol weight |
396.91
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
|---|
| Remark |
| Product (DG01019): | D02262<US> |
| Product (mixture): | D08810<JP> |
|
|---|
| Efficacy |
Antimalarial |
|---|
| Comment |
Methanolquinoline
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07016 | Sulfonamide derivatives - sulfa drugs |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 ANTIPROTOZOALS
P01B ANTIMALARIALS
P01BC Methanolquinolines
P01BC01 Quinine
D02261 Quinine hydrochloride hydrate (JP18)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01019 Quinine
D02261 Quinine hydrochloride hydrate
Transporter substrate
DG01665 ABCB1 substrate
DG01019 Quinine
D02261 Quinine hydrochloride hydrate
Antimicrobials [BR:br08307]
Antiparasitics
Antmalarials
Methanolquinoline
D02261 Quinine hydrochloride hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02261 Quinine hydrochloride hydrate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02261
Drug transporters
D02261
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 27
1 C8y C 19.9637 -25.8951
2 C8y C 21.1810 -25.1986
3 C8y C 19.9577 -27.2941
4 C8x C 18.7580 -25.1927
5 C1c C 21.1869 -23.7996
6 C8x C 22.3926 -25.9011
7 C8x C 18.7580 -27.9963
8 N5x N 21.1693 -27.9963
9 C8y C 17.5405 -25.8951
10 C1y C 22.4043 -23.1032
11 O1a O 19.9754 -23.0915
12 C8x C 22.3868 -27.3056
13 C8x C 17.5405 -27.2941
14 O2a O 16.3289 -25.1927
15 N1y N 23.8384 -22.2311
16 C1x C 21.6727 -22.0671
17 C1a C 16.3289 -23.7939
18 C1x C 23.8384 -20.9961
19 C1x C 25.3367 -23.0329
20 C1y C 23.0832 -21.2302
21 C1y C 23.0892 -20.2411
22 C1x C 24.6402 -21.9268
23 C2b C 22.5623 -18.9418
24 C2a C 23.4227 -17.8354
25 X Cl 27.2768 -27.4868
26 O0 O 27.4634 -25.1767
27 O0 O 27.4634 -25.1767
BOND 27
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
BRACKET 1 25.2700 -25.9000 25.2700 -24.5000
1 28.3500 -24.5000 28.3500 -25.9000
1 2
ORIGINAL 1 27
REPEAT 1 28
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