chempirical

Olopatadine hydrochloride

C21H24ClNO3CAS 140462-76-6373.88 g/mol

Open in Covalent MOL file
NOOHOHCl
AlkeneCarboxylic acidEtherTertiary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Double bonds
ZE/Z, in SMILES order

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

Similar compounds

Olopatadine113806-05-695 % similar 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 Chlorprothixene hydrochloride6469-93-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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