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Chemical Entities of Biological Interest Ontology
| Preferred Name | clemastine | |
| Synonyms |
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 (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine |
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| 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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3738 |
|
| charge |
0
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|
| database_cross_reference |
Beilstein:6486432 DrugBank:DB00283 Patent:GB942152 CAS:15686-51-8 Drug_Central:671 PMID:18788725 Wikipedia:Clemastine LINCS:LSM-2655 KEGG:C06913 KEGG:D03535
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|
| 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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|
| formula |
C21H26ClNO
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|
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 |
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| has_alternative_id |
CHEBI:569763
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|
| has_exact_synonym |
(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine Clemastine
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|
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
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
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|
| 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
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|
| prefLabel |
clemastine
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|
| smiles |
[H][C@@]1(CCCN1C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
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| treeView | ||
| subClassOf |
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