Cyproheptadine hydrochlorideProduct ingredient for Cyproheptadine

Name
Cyproheptadine hydrochloride
Drug Entry
Cyproheptadine

Cyproheptadine is a potent competitive antagonist of both serotonin and histamine receptors.8 It is used primarily to treat allergic symptoms, though it is perhaps more notable for its use in appetite stimulation11 and its off-label use in the treatment of serotonin syndrome.2

Accession Number
DBSALT000625
Structure
Thumb
Synonyms
Cyproheptadine HCl
UNII
0S9323MCT0
CAS Number
969-33-5
Weight
Average: 323.859
Monoisotopic: 323.144077416
Chemical Formula
C21H22ClN
InChI Key
ZPMVNZLARAEGHB-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H
IUPAC Name
1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine hydrochloride
SMILES
Cl.CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12
PubChem Compound
13770
ChemSpider
13173
ChEBI
59695
ChEMBL
CHEMBL1716
Wikipedia
Cyproheptadine
Predicted Properties
PropertyValueSource
Water Solubility0.0136 mg/mLALOGPS
logP5.02ALOGPS
logP4.38ChemAxon
logS-4.3ALOGPS
pKa (Strongest Basic)8.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity105.17 m3·mol-1ChemAxon
Polarizability34.02 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon