Sorafenib
Properties
- Molecular formula
- C21H16ClF3N4O3
- Molar mass
- 464.83 g/mol
- Exact mass
- 464.0863 Da
- Melting point
- 215 °C
- logP
- 5.56Crippen estimate
- Polar surface area
- 95.8 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 5
Hazards
Danger
- H351 Suspected of causing cancer40% of notifiers
- H360 May damage fertility or the unborn child40% of notifiers
- H360FD May damage fertility; May damage the unborn child20% of notifiers
- H361 Suspected of damaging fertility or the unborn child40% of notifiers
- H362 May cause harm to breast-fed children60% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure60% of notifiers
- H400 Very toxic to aquatic life40% of notifiers
- H402 Harmful to aquatic life20% of notifiers
- H410 Very toxic to aquatic life with long lasting effects60% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P263, P264, P270, P273, P280, P318, P319, P391, P405, P501
Identifiers
CAS number
284461-73-0SMILES
CNC(=O)c1cc(Oc2ccc(NC(O)=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1InChIKey
MLDQJTXFUGDVEO-UHFFFAOYSA-NInChI
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-
- BAY 43-9006
- N-[4-Chloro-3-(trifluoromethyl)phenyl]-N′-[4-[2-(N-methylcarbamoyl)-4-pyridyloxy]phenyl]urea
- Nevaxar
- 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide
Work with Sorafenib
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.
Similar compounds
Regorafenib755037-03-780 % similar
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1)835621-07-378 % similar
Regorafenib monohydrate1019206-88-261 % similar
4-(4-Aminophenoxy)-N-methylpicolinamide284462-37-947 % similar
4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-146 % similar
Triclocarban101-20-238 % similar
4-Chloro-N-methylpicolinamide220000-87-337 % similar
2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)882167-77-336 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.