Cabozantinib S-malate
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
Hazards
Danger
- H302 Harmful if swallowed98.1% of notifiers
- H315 Causes skin irritation94.2% of notifiers
- H319 Causes serious eye irritation92.3% of notifiers
- H335 May cause respiratory irritation92.3% of notifiers
- H360 May damage fertility or the unborn child96.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure98.1% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1140909-48-3SMILES
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)OInChIKey
HFCFMRYTXDINDK-WNQIDUERSA-NInChI
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/s1Weigh 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
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.
Malic acid6915-15-7Free acid, stereo not defined
Malic acid617-48-1Free acid, stereo not defined
L-Malic acid97-67-6Free acid
D-Malic acid636-61-3Free acid, enantiomer
Cabozantinib849217-68-1Free base
Sodium malate676-46-0Salt, stereo not defined
Magnesium malate869-06-7Salt, stereo not defined
Pizotifen malate5189-11-7Salt, stereo not defined
Clebopride hydrogen malate57645-91-7Salt, stereo not defined
Almotriptan malate181183-52-8Salt, stereo not defined
Sodium malate22798-10-3Salt, stereo not defined
L-Hydroxysuccinic acid disodium salt138-09-0Salt
Similar compounds
Foretinib849217-64-750 % similar
Ki8751228559-41-946 % similar
4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-739 % similar
Golvatinib928037-13-237 % similar
N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea623142-96-137 % similar
1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid849217-48-737 % similar
Lenvatinib417716-92-833 % similar
4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.