
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

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 |
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c1ccc(cc1)Cl | 0.0718 |
FDBF00205 | 1-chloro-4-methyl-benzene |
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Cc1ccc(cc1)Cl | 0.0113 |
FDBF02192 | 2-[(4S)-1-methylazepan-4-yl]phthalazin-1-one |
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O=c1n(ncc2c1cccc2)C3CCN(CCC3)C | 0.0003 |
FDBF02193 | 4-methyl-2H-phthalazin-1-one |
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O=c1[nH]nc(c2c1cccc2)C | 0.0007 |
FDBF02194 | 4-methyl-2-[(4S)-1-methylazepan-4-yl]phthalazin-1-one |
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O=c1n(nc(c2c1cccc2)C)C3CCN(CCC3)C | 0.0003 |
FDBF02195 | 2H-phthalazin-1-one |
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O=c1[nH]ncc2c1cccc2 | 0.0007 |
FDBF02196 | 1-methylazepane |
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N1(CCCCCC1)C | 0.0007 |