 | | COMPOUND: C01937 | |
| Entry |
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| Name |
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| Formula |
C20H22N8O5
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| Exact mass |
454.1713
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| Mol weight |
454.4393
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| Structure |
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| Remark |
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| Pathway |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01B ANTIMETABOLITES
L01BA Folic acid analogues
L01BA01 Methotrexate
D00142 Methotrexate (JP18/USP/INN) <JP/US>
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AX Other immunosuppressants
L04AX03 Methotrexate
D00142 Methotrexate (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
Antineoplastics
Antimetabolites
Methotrexate
D00142 Methotrexate (JP18/USP/INN)
Immunological Agents
Immunosuppressants
Antimetabolites, Antiproliferative
Methotrexate
D00142 Methotrexate (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
399 Miscellaneous
3999 Others
D00142 Methotrexate (JP18/USP/INN)
4 Agents affecting cellular function
42 Antineoplastics
422 Antimetabolites
4222 Methotrexates
D00142 Methotrexate (JP18/USP/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02018 Antimetabolite
DG01978 Folic acid analog
DG01930 Dihydrofolate reductase inhibitor
DG00681 Methotrexate
D00142 Methotrexate
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG00681 Methotrexate
D00142 Methotrexate
Drug classes [BR:br08332]
Antineoplastic
DG02018 Antimetabolite
D00142 Methotrexate
Antirheumatic agent
DG01985 Disease modifying anti-rheumatic drug (DMARD)
D00142 Methotrexate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dihydrofolate reductase
DHFR
D00142 Methotrexate (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00142 Methotrexate
D00142 Methotrexate tablets
D00142 Methotrexate capsules
D00142 Methotrexate for injection
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D00142
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| Other DBs |
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| KCF data |
ATOM 33
1 C8y C 23.0300 -14.3500
2 N5x N 23.0300 -15.7500
3 C8y C 24.2900 -16.4500
4 C8y C 25.4800 -15.7500
5 C8y C 25.4800 -14.3500
6 N5x N 24.2900 -13.6500
7 N5x N 26.7400 -16.4500
8 C8y C 27.9300 -15.7500
9 C8x C 27.9300 -14.3500
10 N5x N 26.7400 -13.6500
11 N1a N 21.8400 -13.6500
12 N1a N 24.2900 -17.8500
13 C1b C 29.1200 -16.4500
14 N1c N 30.3100 -15.7500
15 C8y C 31.5000 -16.4500
16 C1a C 30.3100 -14.3500
17 C8x C 31.5000 -17.8500
18 C8x C 32.7600 -18.5500
19 C8y C 33.9500 -17.8500
20 C8x C 33.9500 -16.4500
21 C8x C 32.7600 -15.7500
22 C5a C 35.1400 -18.5500
23 N1b N 36.4000 -17.8500
24 O5a O 35.1400 -19.9500
25 C1c C 37.5900 -18.5500
26 C1b C 38.7800 -17.8500
27 C1b C 39.9700 -18.5500
28 C6a C 41.1600 -17.8500
29 O6a O 42.3500 -18.5500
30 C6a C 37.5900 -19.9500
31 O6a O 38.7800 -20.6500
32 O6a O 36.3300 -20.6500
33 O6a O 41.1600 -16.4500
BOND 35
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 1 11 1
13 3 12 1
14 8 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 15 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 15 21 1
24 19 22 1
25 22 23 1
26 22 24 2
27 23 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 25 30 1 #Up
33 30 31 1
34 30 32 2
35 28 33 2
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