Lenvatinib mesylate

C₂₂H₂₃ClN₄O₇SCAS 857890-39-2522.96 g/mol

Open in Covalent MOL file

Aryl halide Ether Sulfonic acid

Properties

Molecular formula: C₂₂H₂₃ClN₄O₇S
Molar mass: 522.96 g/mol
Exact mass: 522.0976 Da
logP: 4.56Crippen estimate
Polar surface area: 174.4 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H360 May damage fertility or the unborn child25% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H361d Suspected of damaging the unborn child25% of notifiers
H362 May cause harm to breast-fed children25% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P280, P301+P317, P318, P319, P330, P405, P501

Identifiers

CAS number

857890-39-2

SMILES

COc1cc2nccc(Oc3ccc(NC(O)=NC4CC4)c(Cl)c3)c2cc1C(=N)O.CS(=O)(=O)O

InChIKey

HWLFIUUAYLEFCT-UHFFFAOYSA-N

InChI

InChI=1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-5(2,3)4/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

7 names

6-Quinolinecarboxamide, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-, methanesulfonate (1:1)
6-Quinolinecarboxamide, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-, monomethanesulfonate
E 7080 Mesylate
Lenvatinib methanesulfonate
4-[3-Chloro-4-[(cyclopropylaminocarbonyl)amino]phenoxy]-7-methoxy-6-quinolinecarboxamide mesylate
Kisplyx
Lenvima

Work with Lenvatinib mesylate

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.

Methanesulfonic acid75-75-2Free acid Lenvatinib417716-92-8Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-145 % similar Tivozanib475108-18-039 % similar N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea623142-96-137 % similar Ki8751228559-41-937 % similar Krn-633286370-15-836 % similar 4-Chloro-7-methoxyquinoline-6-carboxamide417721-36-936 % similar Methyl 4-chloro-7-methoxyquinoline-6-carboxylate205448-66-434 % similar Cabozantinib849217-68-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook