loading...| Preferred Name |
clemastine |
|
| Synonyms |
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine clemastinum clemastine clemastina (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine (+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine C21H26ClNO Clemastine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3738 |
|
| AHFScode |
04:04.04 |
|
| altId |
CHEBI:569763 |
|
| ATCCode |
R06AA04 D04AA14 |
|
| blocks | ||
| CASRN |
15686-51-8 |
|
| DBBrand |
tavist tavist-1 mecloprodin meclastin |
|
| DBname |
clemastine |
|
| DBSynonym |
clemastinum [inn-latin] clemastine fumarate clemastina [inn-spanish] |
|
| Definition |
2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000335 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0001105 http://purl.obolibrary.org/obo/OAE_0000268 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 |
|
| InChI |
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 |
|
| InChIKey |
InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N |
|
| inhibits | ||
| label |
clemastine |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_42944 http://purl.obolibrary.org/obo/dinto_DB00209 http://purl.obolibrary.org/obo/CHEBI_8874 http://purl.obolibrary.org/obo/CHEBI_53289 http://purl.obolibrary.org/obo/dinto_DB00427 |
|
| prefixIRI |
obo2:CHEBI_3738 |
|
| prefLabel |
clemastine |
|
| SMILES |
[H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 |
|
| Synonym |
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine clemastinum clemastine clemastina (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine (+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine C21H26ClNO Clemastine |
|
| xref |
Beilstein:6486432 DrugBank:DB00283 Patent:GB942152 KEGG COMPOUND:C06913 NIST Chemistry WebBook:15686-51-8 KEGG DRUG:D03535 RxList:http://www.rxlist.com/cgi/generic3/clemast.htm PubChem Compound:26987 ChEMBL:18788725 PharmGKB:PA164776997 Drugs Product Database (DPD):35971 Wikipedia:http://en.wikipedia.org/wiki/Clemastine CASRN:15686-51-8 Wikipedia:Clemastine ChEBI:3738 ChemSpider:25129 National Drug Code Directory:0781-1359-01 BindingDB:50253157 PubChem Substance:46506492 Drugs.com:http://www.drugs.com/cdi/clemastine.html |
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| subClassOf |