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CHEBI:3561 - cetirizine
| Formula | C21H25ClN2O3 |
| Net Charge | 0 |
| Average Mass | 388.895 |
| Monoisotopic Mass | 388.15537 |
| SMILES | O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 |
| InChI | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) |
| InChIKey | ZKLPARSLTMPFCP-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antiviral agent A substance that destroys or inhibits replication of viruses. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Applications: | H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. anti-allergic agent A drug used to treat allergic reactions. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cetirizine (CHEBI:3561) has role anti-allergic agent (CHEBI:50857) |
| cetirizine (CHEBI:3561) has role antiviral agent (CHEBI:22587) |
| cetirizine (CHEBI:3561) has role dermatologic drug (CHEBI:50177) |
| cetirizine (CHEBI:3561) has role environmental contaminant (CHEBI:78298) |
| cetirizine (CHEBI:3561) has role H1-receptor antagonist (CHEBI:37955) |
| cetirizine (CHEBI:3561) has role immunosuppressive agent (CHEBI:35705) |
| cetirizine (CHEBI:3561) has role ophthalmology drug (CHEBI:66981) |
| cetirizine (CHEBI:3561) has role xenobiotic (CHEBI:35703) |
| cetirizine (CHEBI:3561) is a ether (CHEBI:25698) |
| cetirizine (CHEBI:3561) is a monocarboxylic acid (CHEBI:25384) |
| cetirizine (CHEBI:3561) is a monochlorobenzenes (CHEBI:83403) |
| cetirizine (CHEBI:3561) is a piperazines (CHEBI:26144) |
| IUPAC Name |
|---|
| (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid |
| INNs | Source |
|---|---|
| cetirizina | ChemIDplus |
| cetirizine | KEGG DRUG |
| cétirizine | ChEBI |
| cetirizinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| AC-170 | ChEMBL |
| Cetiderm | ChEMBL |
| Cetirizin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 581 | DrugCentral |
| C07778 | KEGG COMPOUND |
| Cetirizine | Wikipedia |
| D07662 | KEGG DRUG |
| DB00341 | DrugBank |
| HMDB0005032 | HMDB |
| LSM-1544 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7227333 | Reaxys |
| CAS:83881-51-0 | ChemIDplus |
| CAS:83881-51-0 | KEGG COMPOUND |
| Citations |
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