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Cyproheptadine hydrochloride

CAT: 0607-B3309-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B3309-5.1Size:10 mM (in 1mL DMSO)
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Description
serotonin and histamine antagonist as well as antimuscarinic reagent
CAS Number
969-33-5
Product Name Alternative
4-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-1-methylpiperidine;hydrochloride
Field of Research
Neuroscience Histamine Receptor
Purity
0.9996
Form
A solid
Solubility
insoluble in H2O; ≥32.39 mg/mL in DMSO; ≥12.14 mg/mL in EtOH
Smiles
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.Cl
Molecular Formula
C21H22ClN
Molecular Weight
323.86
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Cyproheptadine Hydrochloride

Cyproheptadine hydrochloride (anhydrous) is the hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate. It contains a cyproheptadine.

CAS Number969-33-5
PubChem CID13770
IUPAC Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine;hydrochloride
Molecular FormulaC21H22ClN
Molecular Weight323.9
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.Cl
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
InChIKey
ZPMVNZLARAEGHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyproheptadine Hydrochloride
CAS: 969-33-5
CID: 13770
Formula: C21H22ClN
MW: 323.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass323.1440774
Monoisotopic Mass323.1440774
Topological Polar Surface Area3.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes