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Coronavirus Infectious Disease 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
|
|
| charge |
0
|
|
| chemical binds protein | ||
| chemical has protein target | ||
| 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
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|
| definition source |
Reference: PMID: 22711801
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|
| formula |
C21H26ClNO
|
|
| has exact synonym |
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 |
|
| has_alternative_id |
CHEBI:569763
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|
| 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
|
|
| has_role | ||
| id |
CHEBI:3738
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|
| imported from | ||
| 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
|
|
| smiles |
[H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
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|
| textual 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.
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| subClassOf |
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| No notes to display |