Entry |
|
Name |
Indomethacin sodium (USP); Indometacin sodium hydrate (JAN); Indomethacin sodium trihydrate; Indometacin sodium; Indocin I.V. (TN) |
Product |
|
Generic |
INDOMETHACIN (Hospira), INDOMETHACIN (Zydus Pharmaceuticals USA) |
Formula |
C19H15ClNO4. 3H2O. Na
|
Exact mass |
433.0904
|
Mol weight |
433.8153
|
Structure |
|
Simcomp |
|
Class |
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01899 Anti-inflammatory drug, indoleacetic acid derivatives
|
Remark |
Therapeutic category: | 2190 |
ATC code: | C01EB03 M01AB01 M02AA23 S01BC01 |
Chemical structure group: | DG00241 |
Product (DG00241): | D00141<JP/US> D01565<JP> D02110<JP/US> |
|
Efficacy |
Anti-inflammatory, Cardiovascular agent, COX inhibitor |
Comment |
Indole acetic acid derivative
|
Target |
PTGS1 (COX1) [HSA:5742] [KO:K00509] PTGS2 (COX2) [HSA:5743] [KO:K11987] |
Pathway |
hsa00590 | Arachidonic acid metabolism |
|
Interaction |
|
Structure map |
map07219 | Cyclooxygenase inhibitors |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB03 Indometacin
D02110 Indomethacin sodium (USP) <JP/US>
M MUSCULO-SKELETAL SYSTEM
M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
M01AB Acetic acid derivatives and related substances
M01AB01 Indometacin
D02110 Indomethacin sodium (USP) <JP/US>
M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AA Antiinflammatory preparations, non-steroids for topical use
M02AA23 Indometacin
D02110 Indomethacin sodium (USP) <JP/US>
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01B ANTIINFLAMMATORY AGENTS
S01BC Antiinflammatory agents, non-steroids
S01BC01 Indometacin
D02110 Indomethacin sodium (USP) <JP/US>
USP drug classification [BR:br08302]
Analgesics
Nonsteroidal Anti-inflammatory Drugs
Indomethacin
D02110 Indomethacin sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
219 Miscellaneous
2190 Miscellaneous
D02110 Indomethacin sodium (USP); Indometacin sodium hydrate (JAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01899 Anti-inflammatory drug, indoleacetic acid derivatives
DG00241 Indometacin
D02110 Indomethacin sodium
Drug classes [BR:br08332]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
D02110 Indomethacin sodium
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Prostaglandin synthase
PTGS1 (COX1)
D02110 Indomethacin sodium (USP) <JP/US>
PTGS2 (COX2)
D02110 Indomethacin sodium (USP) <JP/US>
Drug groups [BR:br08330]
Anti-inflammatory
DG01504 Nonsteroidal anti-inflammatory drug (NSAID)
DG01906 Anti-inflammatory drug, acetic acid derivatives
DG01899 Anti-inflammatory drug, indoleacetic acid derivatives
DG00241 Indometacin
|
Other DBs |
|
KCF data |
ATOM 29
1 C8y C 21.1257 -17.8394
2 C8y C 21.1187 -19.3169
3 C1a C 22.4058 -20.0688
4 C6a C 23.7002 -17.8586
5 C1b C 22.4129 -17.1068
6 C8y C 18.7772 -19.2026
7 C8y C 18.7772 -17.8443
8 N4y N 19.9606 -19.8922
9 C8x C 17.5875 -19.8735
10 C8x C 17.5875 -17.1557
11 C5a C 19.9253 -21.2367
12 C8x C 16.4228 -19.2026
13 C8y C 16.4228 -17.8443
14 C8y C 19.1044 -21.6949
15 O2a O 15.2590 -17.1804
16 C8x C 17.9102 -21.0300
17 C8x C 19.1025 -23.0588
18 C1a C 14.0872 -17.8630
19 C8x C 16.7373 -21.7153
20 C8x C 17.9487 -23.7396
21 C8y C 16.7568 -23.0666
22 X Cl 15.6094 -23.7585
23 O6a O 24.9873 -17.1191 #-
24 O6a O 23.7002 -19.3362
25 O5a O 21.1290 -21.9649
26 Z Na 26.9719 -17.2204 #+
27 O0 O 29.4191 -21.3993
28 O0 O 29.4191 -21.3993
29 O0 O 29.4191 -21.3993
BOND 27
1 6 7 2
2 6 8 1
3 6 9 1
4 7 1 1
5 7 10 1
6 8 2 1
7 8 11 1
8 9 12 2
9 10 13 2
10 11 14 1
11 13 15 1
12 14 16 2
13 14 17 1
14 15 18 1
15 16 19 1
16 17 20 2
17 19 21 2
18 21 22 1
19 12 13 1
20 20 21 1
21 4 5 1
22 4 23 1
23 5 1 1
24 4 24 2
25 1 2 2
26 2 3 1
27 11 25 2
BRACKET 1 27.5100 -22.1900 27.5100 -20.3000
1 29.8200 -20.3000 29.8200 -22.1900
1 3
ORIGINAL 1 27
REPEAT 1 28 29
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