Olopatadine hydrochloride

C₂₁H₂₄ClNO₃CAS 140462-76-6373.88 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₄ClNO₃
Molar mass: 373.88 g/mol
Exact mass: 373.1445 Da
logP: 4.01Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5
Double bonds: ZE/Z, in SMILES order

Hazards

Danger

H301 Toxic if swallowed87.2% of notifiers
H400 Very toxic to aquatic life87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

140462-76-6

SMILES

CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl

InChIKey

HVRLZEKDTUEKQH-NOILCQHBSA-N

InChI

InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all

Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride (1:1), (11Z)-
Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride, (Z)-
Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride, (11Z)-
KW 4679
ALO 4943A
Allelock
(Z)-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-acetic acid hydrochloride
Patanase
Allerock
Patadine
Olopine
Olopax
Pazeo
Opatanol
Patanol
Pataday

Work with Olopatadine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Olopatadine113806-05-6Free base

Similar compounds

Doxepin hydrochloride1229-29-467 % similar Isoxepac55453-87-759 % similar Amitriptyline hydrochloride549-18-852 % similar Amitriptyline50-48-647 % similar Cyclobenzaprine hydrochloride6202-23-944 % similar Melitracen hydrochloride10563-70-942 % similar 4-(Benzyloxy)-3-bromophenylacetic acid5884-48-041 % similar Chlorprothixene hydrochloride6469-93-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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