Desloratadine

C₁₉H₁₉ClN₂CAS 100643-71-8310.83 g/mol

Open in Covalent MOL file

Alkene Aryl halide Secondary amine

Properties

Molecular formula: C₁₉H₁₉ClN₂
Molar mass: 310.83 g/mol
Exact mass: 310.1237 Da
Melting point: 154–154.5 °C
logP: 4.02Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed90% of notifiers
H317 May cause an allergic skin reaction10% of notifiers
H318 Causes serious eye damage85% of notifiers
H361 Suspected of damaging fertility or the unborn child74.3% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child12.9% of notifiers
H411 Toxic to aquatic life with long lasting effects89.3% of notifiers

Aggregated from 140 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

100643-71-8

SMILES

Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1

InChIKey

JAUOIFJMECXRGI-UHFFFAOYSA-N

InChI

InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

Weigh it out

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

Names and synonyms

18 names · show all

5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Descarboethoxyloratadine
8-Chloro-11-(4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Sch 34117
Clarinex
Aerius
NSC 675447
Azomyr
Opulis
Allex
Neoclarityn
Descarboethoxyloratidine
Delopedil
Sedno
Eurodesa
Desler
Dasselta

Work with Desloratadine

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

N-Methyldesloratadine38092-89-671 % similar Loratadine79794-75-560 % similar 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-B]pyridin-11-one31251-41-959 % similar Rupatadine158876-82-557 % similar Rupatadine fumarate182349-12-849 % similar Azatadine maleate3978-86-740 % similar 6-Chloro-1-tetralone26673-31-439 % similar 5-Chloro-1-indanone42348-86-738 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook