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CHEBI:650917 - cyproheptadine hydrochloride sesquihydrate

Default Structure
ChEBI IDCHEBI:650917
ChEBI Namecyproheptadine hydrochloride sesquihydrate
Stars
DefinitionThe sesquihydrate of cyproheptadine hydrochloride. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate. A sedating antihistamine with antimuscarinic and calcium-channel blocking actions, it is used for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.
Secondary ChEBI IDCHEBI:188266
Last Modified2 July 2010
DownloadsMolfile
Formula2C21H21N.3H2O.2HCl
Net Charge0
Average Mass701.779
Monoisotopic Mass700.31985
SMILESCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl.Cl.O.O.O
InChIInChI=1S/2C21H21N.2ClH.3H2O/c2*1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;;;;/h2*2-11H,12-15H2,1H3;2*1H;3*1H2
InChIKeyZEAUHIZSRUAMQG-UHFFFAOYSA-N
Roles Classification
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.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Applications:
anti-allergic agent  A drug used to treat allergic reactions.
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.
gastrointestinal drug  A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antipruritic drug  A drug, usually applied topically, that relieves pruritus (itching).
ChEBI Ontology
Outgoing Relation(s)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has part cyproheptadine hydrochloride (anhydrous) (CHEBI:59695)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has role anti-allergic agent (CHEBI:50857)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has role antipruritic drug (CHEBI:59683)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has role gastrointestinal drug (CHEBI:55324)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has role H1-receptor antagonist (CHEBI:37955)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) has role serotonergic antagonist (CHEBI:48279)
cyproheptadine hydrochloride sesquihydrate (CHEBI:650917) is a hydrate (CHEBI:35505)
IUPAC Name 
4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride—water (2/3)
Synonyms  Source
4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine hydrochloride sesquihydrateChemIDplus
Cyproheptadine hydrochlorideChEMBL
CYPROHEPTADINE HYDROCHLORIDEChEMBL
Manual XrefsDatabases
D02234KEGG DRUG
DB00434DrugBank
Registry NumbersSources
CAS:41354-29-4ChemIDplus
CAS:41354-29-4KEGG DRUG
Citations