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Biological and Environmental Research Ontology
| Preferred Name | clemastine | |
| Synonyms |
clemastinum (+)-(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 clemastina clemastine (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3738 |
|
| alternative term |
clemastinum (+)-(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 clemastina clemastine (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine
|
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:15686-51-8 LINCS:LSM-2655 DrugBank:DB00283 Drug_Central:671 PMID:18788725 KEGG:C06913 Patent:GB942152 KEGG:D03535 Wikipedia:Clemastine Beilstein:6486432
|
|
| 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.
|
|
| formula |
C21H26ClNO
|
|
| has_alternative_id |
CHEBI:569763
|
|
| has_exact_synonym |
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
clemastinum (+)-(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 clemastina clemastine
|
|
| id |
CHEBI:3738
|
|
| in_subset | ||
| 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 |
YNNUSGIPVFPVBX-NHCUHLMSSA-N
|
|
| label |
clemastine
|
|
| mass |
343.89000
|
|
| monoisotopicmass |
343.17029
|
|
| notation |
CHEBI:3738
|
|
| prefLabel |
clemastine
|
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 |
|
| smiles |
[H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
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| subClassOf |
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| No notes to display |