Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00095
|
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| Drug Name |
Spirapril
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| Synonyms |
(2S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid; Espirapril [Spanish]; Not established; Renormax; Sandopril; Sch-33844; Setrilan; Spirapril (INN); Spirapril [INN:BAN]; Spiraprilum [Latin]; TI-211-950
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| Drug Type |
Small molecular drug
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| Indication | High blood pressure [ICD11:BA00] | Approved | [1] | |||
| Therapeutic Class |
Antihypertensive Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H30N2O5S2
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| Canonical SMILES |
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3(CC2C(=O)O)SCCS3
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| InChI |
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
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| InChIKey |
HRWCVUIFMSZDJS-SZMVWBNQSA-N
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| CAS Number |
CAS 83647-97-6
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| Pharmaceutical Properties | Molecular Weight | 466.6 | Topological Polar Surface Area | 147 | ||
| Heavy Atom Count | 31 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
0.9
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| PubChem CID | ||||||
| PubChem SID |
103165488
,103928452
,11056512
,114156121
,12013873
,128104191
,134223240
,134338188
,135049040
,137003827
,141328414
,14858420
,160964639
,163693574
,163852855
,178103189
,179151271
,198942493
,223621315
,224854639
,226407318
,252356740
,39341121
,46506126
,49964144
,57359484
,79446638
,7980648
,96025214
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| ChEBI ID |
CHEBI:135756
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | PEPT1 | Transporter Info | Peptide transporter 1 | Substrate | [2] | |
| PEPT2 | Transporter Info | Peptide transporter 2 | Substrate | [2] | ||
| References | ||||||
| 1 | Spirapril was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Transport of angiotensin-converting enzyme inhibitors by H+/peptide transporters revisited. J Pharmacol Exp Ther. 2008 Nov;327(2):432-41. | |||||
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