Products for Research Use Only
RegisterLogin

D18024

CAT: 0931-T10945-07Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T10945-07Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
110406-33-2
Target
Histamine Receptor, Others
Related Pathways
Immunology/Inflammation, Neuroscience, Others, GPCR/G Protein
Purity
0.9986
Bioactivity
D18024 is a phthalazinonderivat with anti-allergic and anti-histamine effect.
Smiles
Cl.O=C1C=2C=CC=CC2C(=NN1C3CCN(CCC=4C=CC=CC4)CCC3)CC5=CC=C(F)C=C5
Molecular Formula
C29H31ClFN3O
Molecular Weight
492.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flezelastine hydrochloride
CAS Number110406-33-2
PubChem CID60431
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride
Molecular FormulaC29H31ClFN3O
Molecular Weight492.0
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity697
SMILES
C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl
InChI
InChI=1S/C29H30FN3O.ClH/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22;/h1-5,7-8,10-15,25H,6,9,16-21H2;1H
InChIKey
KBNISKYDAJMVNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flezelastine hydrochloride
CAS: 110406-33-2
CID: 60431
Formula: C29H31ClFN3O
MW: 492.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass491.2139685
Monoisotopic Mass491.2139685
Topological Polar Surface Area35.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19206106-01D18024

Popular Products