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CHEBI:3380 - captopril
| Formula | C9H15NO3S |
| Net Charge | 0 |
| Average Mass | 217.290 |
| Monoisotopic Mass | 217.07726 |
| SMILES | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O |
| InChI | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 |
| InChIKey | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1). antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hypoglycemic agent A drug which lowers the blood glucose level. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antifibrotic agent Any agent which acts to reduce fibrosis. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| captopril (CHEBI:3380) has role antifibrotic agent (CHEBI:233423) |
| captopril (CHEBI:3380) has role antihypertensive agent (CHEBI:35674) |
| captopril (CHEBI:3380) has role antimicrobial agent (CHEBI:33281) |
| captopril (CHEBI:3380) has role antineoplastic agent (CHEBI:35610) |
| captopril (CHEBI:3380) has role antiviral agent (CHEBI:22587) |
| captopril (CHEBI:3380) has role cardiovascular drug (CHEBI:35554) |
| captopril (CHEBI:3380) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457) |
| captopril (CHEBI:3380) has role hypoglycemic agent (CHEBI:35526) |
| captopril (CHEBI:3380) is a N-acylpyrrolidine (CHEBI:46766) |
| captopril (CHEBI:3380) is a L-proline derivative (CHEBI:84186) |
| captopril (CHEBI:3380) is a alkanethiol (CHEBI:47908) |
| captopril (CHEBI:3380) is a pyrrolidinemonocarboxylic acid (CHEBI:46701) |
| Incoming Relation(s) |
| captopril disulfide (CHEBI:53236) has functional parent captopril (CHEBI:3380) |
| IUPAC Name |
|---|
| 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline |
| INNs | Source |
|---|---|
| captopril | ChemIDplus |
| captoprilum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | ChEBI |
| C09AA01 | ChEMBL |
| Captomax | ChEMBL |
| Captopryl | DrugBank |
| CP | ChEBI |
| Farcopril | ChEMBL |
| Brand Names | Source |
|---|---|
| Acepress | DrugBank |
| Acepril | ChEMBL |
| Apopril | DrugBank |
| Capoten | DrugBank |
| Captolane | DrugBank |
| Captomex | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Beilstein:477887 | Beilstein |
| CAS:62571-86-2 | KEGG DRUG |
| CAS:62571-86-2 | ChemIDplus |
| CAS:62571-86-2 | NIST Chemistry WebBook |
| Citations |
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