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Alcaftadine

CAT: 0607-B3518-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B3518-50Size:50 mg
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Description
H1 histamine receptor antagonist
CAS Number
147084-10-4
Product Name Alternative
11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]imidazo[1,2-a]azepine-3-carbaldehyde
Field of Research
Neuroscience Histamine Receptor
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥15.37 mg/mL in DMSO; ≥9.1 mg/mL in EtOH
Smiles
CN1CC/C(CC1)=C2C3=CC=CC=C3CCN4C(C=O)=CN=C/24
Molecular Formula
C19H21N3O
Molecular Weight
307.39
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Alcaftadine

Alcaftadine is an imidazobenzazepine that is 6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine substituted at position 3 by a formyl group and at position 11 by a 1-methylpiperidin-4-ylidene group. An antihistamine used for treatment of allergic conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is an aldehyde, a member of piperidines, a tertiary amino compound and an imidazobenzazepine.

CAS Number147084-10-4
PubChem CID19371515
IUPAC Name11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
Molecular FormulaC19H21N3O
Molecular Weight307.4
XLogP1.7
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity479
SMILES
CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1
InChI
InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3
InChIKey
MWTBKTRZPHJQLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alcaftadine
CAS: 147084-10-4
CID: 19371515
Formula: C19H21N3O
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass307.168462302
Monoisotopic Mass307.168462302
Topological Polar Surface Area38.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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