Responsive image

Common name


Azelastine

IUPAC name


4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one

SMILES


CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O

Compound class


Anti-Allergic Agents; Lipoxygenase Inhibitors; Bronchodilator Agents; Histamine H1 Antagonists, Non-Sedating; Respiratory System; Ophthalmologicals; Sensory Organs; Nasal Preparations; Antihistamines for Systemic Use; Decongestants and Antiallergics; Antiallergic Agents, Excl. Corticosteroids; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the symptomatic treatment of seasonal allergic rhinitis and non-allergic rhinitis, as well as symptomatic relief of ocular itching associated with allergic conjunctivitis.

Common name


Azelastine

IUPAC name


4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one

SMILES


CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O

INCHI


InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3

FORMULA


C22H24ClN3O

Responsive image

Common name


Azelastine

IUPAC name


4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one

Molecular weight


381.898

clogP


4.382

clogS


-5.834

HBond Acceptor


3

HBond Donor


0

Total Polar
Surface Area


38.13

Number of Rings


4

Rotatable Bond


3

Drug ID Common name Structure CAS SMILE Frequency
FDBF00016 chlorobenzene Responsive image c1ccc(cc1)Cl 0.0718
FDBF00205 1-chloro-4-methyl-benzene Responsive image Cc1ccc(cc1)Cl 0.0113
FDBF02192 2-[(4S)-1-methylazepan-4-yl]phthalazin-1-one Responsive image O=c1n(ncc2c1cccc2)C3CCN(CCC3)C 0.0003
FDBF02193 4-methyl-2H-phthalazin-1-one Responsive image O=c1[nH]nc(c2c1cccc2)C 0.0007
FDBF02194 4-methyl-2-[(4S)-1-methylazepan-4-yl]phthalazin-1-one Responsive image O=c1n(nc(c2c1cccc2)C)C3CCN(CCC3)C 0.0003
FDBF02195 2H-phthalazin-1-one Responsive image O=c1[nH]ncc2c1cccc2 0.0007
FDBF02196 1-methylazepane Responsive image N1(CCCCCC1)C 0.0007
7 , 1