N-Methyldesloratadine

C₂₀H₂₁ClN₂CAS 38092-89-6324.85 g/mol

Open in Covalent MOL file

Alkene Aryl halide Tertiary amine

Properties

Molecular formula: C₂₀H₂₁ClN₂
Molar mass: 324.85 g/mol
Exact mass: 324.1393 Da
Melting point: 116–119 °C
logP: 4.36Crippen estimate
Polar surface area: 16.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed93.8% of notifiers
H315 Causes skin irritation34.4% of notifiers
H318 Causes serious eye damage53.1% of notifiers
H319 Causes serious eye irritation34.4% of notifiers
H332 Harmful if inhaled37.5% of notifiers
H361 Suspected of damaging fertility or the unborn child53.1% of notifiers
H362 May cause harm to breast-fed children53.1% of notifiers
H412 Harmful to aquatic life with long lasting effects53.1% of notifiers

Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

38092-89-6

SMILES

CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

InChIKey

VLXSCTINYKDTKR-UHFFFAOYSA-N

InChI

InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3

Weigh it out

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

Names and synonyms

2 names

5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-
8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

Work with N-Methyldesloratadine

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

Desloratadine100643-71-871 % similar Loratadine79794-75-568 % similar Rupatadine158876-82-565 % similar Azatadine maleate3978-86-759 % similar 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one31251-41-956 % similar Rupatadine fumarate182349-12-855 % similar Loratadine ketone130642-50-150 % similar 8-Chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol38089-93-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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