Azelastine
Properties
- Molecular formula
- C22H24ClN3O
- Molar mass
- 381.90 g/mol
- Exact mass
- 381.1608 Da
- pKa
- 9.54
- logP
- 4.30Crippen estimate
- Polar surface area
- 38.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H351 Suspected of causing cancer50% of notifiers
- H413 May cause long lasting harmful effects to aquatic life50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
58581-89-8SMILES
CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1InChIKey
MBUVEWMHONZEQD-UHFFFAOYSA-NInChI
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,4-5,12-15H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-
- 4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone
- (±)-Azelastine
Work with Azelastine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Vatalanib212141-54-333 % similar
Vatalanib dihydrochloride212141-51-031 % similar
2-(4'-Chlorobenzyl)pyridine4350-41-831 % similar
(4-Chlorophenyl)phenylmethane831-81-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds