| Entry |
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| Name |
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| Formula |
C20H21FN2O
|
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| Exact mass |
324.1638
|
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| Mol weight |
324.3919
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map00982 | Drug metabolism - cytochrome P450 |
|
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| Enzyme |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AB Selective serotonin reuptake inhibitors
N06AB04 Citalopram
D07704 Citalopram (USP/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00943 Citalopram
D07704 Citalopram
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00943 Citalopram
D07704 Citalopram
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00943 Citalopram
D07704 Citalopram
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG00943 Citalopram
D07704 Citalopram
Transporter substrate
DG01665 ABCB1 substrate
DG00943 Citalopram
D07704 Citalopram
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A4 (HTT)
D07704 Citalopram (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07704
Drug transporters
D07704
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| Other DBs |
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| KCF data |
ATOM 24
1 C1z C 25.2632 -17.7709
2 C8y C 23.9256 -17.3325
3 O2x O 26.0986 -16.6375
4 C8y C 23.9313 -15.9248
5 C8x C 22.7221 -18.0336
6 C1x C 25.2749 -15.4924
7 C8x C 22.7221 -15.2238
8 C8x C 21.5012 -17.3268
9 C8y C 21.5012 -15.9248
10 C3b C 20.2861 -15.2238
11 N3a N 19.0714 -14.5226
12 C8y C 25.2632 -19.1736
13 C8x C 24.0500 -19.8740
14 C8x C 24.0500 -21.2767
15 C8y C 25.2648 -21.9781
16 C8x C 26.4780 -21.2777
17 C8x C 26.4780 -19.8750
18 X F 25.2645 -23.3542
19 C1b C 26.6659 -17.7709
20 C1b C 27.3519 -18.9589
21 C1b C 28.7558 -18.9589
22 N1c N 29.4473 -20.1562
23 C1a C 30.8598 -20.1562
24 C1a C 28.7606 -21.3455
BOND 26
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 7 9 2
9 9 10 1
10 4 6 1
11 8 9 1
12 10 11 3
13 1 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 1 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1
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