| Entry |
|
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| Name |
Temocapril hydrochloride (JP16/USAN);
Acecol (TN)
|
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| Formula |
C23H28N2O5S2. HCl
|
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| Exact mass |
512.1206
|
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| Mol weight |
513.0698
|
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| Structure |
     |
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| Activity |
Antihypertensive
|
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| Remark |
Therapeutic category: ATC code: |
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| Target |
angiotensin-converting enzyme (ACE) inhibitor [HSA: 1636] [KO: K01283] |
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| Pathway |
|
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| Interaction |
|
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| Structure map |
| Renin-angiotensin system inhibitors |
|
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
214 Antihypertensives
2144 Angiotensin converting enzyme inhibitors
D01119 Temocapril hydrochloride (JP16/USAN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
C09A ACE INHIBITORS, PLAIN
C09AA ACE inhibitors, plain
C09AA14 Temocapril
D01119 Temocapril hydrochloride (JP16/USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
angiotensin-converting enzyme (ACE) [HSA:1636] [KO:K01283]
Temocapril [ATC:C09AA14]
D01119 Temocapril hydrochloride (JP16/USAN)
 |
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| Other DBs |
CAS: 110221-44-8 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 33
1 S2x S 29.4714 -15.9075
2 C8x C 30.6077 -15.0884
3 C8x C 30.1717 -13.7501
4 C8x C 28.7711 -13.7501
5 C8y C 28.3351 -15.0884
6 C8y C 18.3350 -17.9988
7 C1b C 19.5446 -17.2985
8 C1b C 20.7542 -17.9918
9 C1c C 21.9639 -17.2915
10 N1b N 23.1735 -17.9847
11 C1y C 24.3831 -17.2844
12 C1x C 24.7103 -15.9193
13 S2x S 25.9744 -15.3312
14 C1y C 27.2331 -15.9529
15 C1x C 27.5358 -17.3180
16 C5x C 25.2469 -18.3898
17 N1y N 26.6493 -18.3998
18 O5x O 24.6286 -19.6466
19 C8x C 17.1291 -17.3016
20 C8x C 15.9195 -18.0019
21 C8x C 15.9212 -19.3996
22 C8x C 17.1325 -20.0970
23 C8x C 18.3421 -19.3967
24 C7a C 21.9544 -15.8865
25 O6a O 23.1626 -15.1780
26 O7a O 20.7368 -15.1943
27 C1b C 19.5285 -15.9028
28 C1a C 18.3109 -15.2106
29 C1b C 27.2440 -19.6678
30 C6a C 26.4432 -20.8170
31 O6a O 27.0379 -22.0851
32 O6a O 25.0386 -20.8099
33 X Cl 30.8574 -19.4470
BOND 34
1 7 8 1
2 15 17 1
3 16 17 1
4 1 2 1
5 16 18 2
6 8 9 1
7 2 3 2
8 9 10 1
9 3 4 1
10 11 10 1 #Up
11 6 19 2
12 19 20 1
13 20 21 2
14 21 22 1
15 22 23 2
16 23 6 1
17 5 1 1
18 9 24 1 #Up
19 4 5 2
20 24 25 2
21 12 13 1
22 24 26 1
23 26 27 1
24 13 14 1
25 27 28 1
26 14 5 1 #Down
27 12 11 1
28 17 29 1
29 6 7 1
30 29 30 1
31 14 15 1
32 30 31 2
33 30 32 1
34 11 16 1
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