chempirical

Cabozantinib S-malate

C32H30FN3O10CAS 1140909-48-3635.60 g/mol

Open in Covalent MOL file
ONONHOONHFOOHOOHOOH
AlcoholAmideAryl halideCarboxylic acidEther

Properties

Molecular formula
C32H30FN3O10
Molar mass
635.60 g/mol
Exact mass
635.1915 Da
logP
4.45Crippen estimate
Polar surface area
193.6 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1140909-48-3
SMILES
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O
InChIKey
HFCFMRYTXDINDK-WNQIDUERSA-N
InChI
InChI=1S/C28H24FN3O5.C4H6O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18;5-2(4(8)9)1-3(6)7/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1

Weigh it out

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

Names and synonyms

4 names
  • Butanedioic acid, 2-hydroxy-, (2S)-, compd. with N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N′-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide (1:1)
  • XL 184
  • Cometriq
  • (2S)-2-Hydroxybutanedioic acid compd. with N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N′-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide (1:1)

Work with Cabozantinib S-malate

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

Cabozantinib849217-68-176 % similar Foretinib849217-64-750 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-739 % similar Lenvatinib417716-92-833 % similar Lenvatinib mesylate857890-39-232 % similar Tivozanib475108-18-032 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook