Axitinib
Properties
- Molecular formula
- C22H18N4OS
- Molar mass
- 386.47 g/mol
- Exact mass
- 386.1201 Da
- logP
- 5.21Crippen estimate
- Polar surface area
- 74.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 5
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302 Harmful if swallowed53.4% of notifiers
- H341 Suspected of causing genetic defects43.8% of notifiers
- H361 Suspected of damaging fertility or the unborn child43.8% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure43.8% of notifiers
- H400 Very toxic to aquatic life56.2% of notifiers
Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501
Identifiers
CAS number
319460-85-0SMILES
CN=C(O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1InChIKey
RITAVMQDGBJQJZ-FMIVXFBMSA-NInChI
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzamide, N-methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]-
- N-Methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide
- AG 013736
- Inlyta
Work with Axitinib
Similar compounds
2-((3-Iodo-1H-indazol-6-yl)thio)-N-methylbenzamide885126-34-141 % similar
Densil P2527-58-439 % similar
3-(2-Pyridinyl)-2-propenoic acid7340-22-931 % similar
2,2′-(1,2-Ethenediyl)bis[pyridine]1437-15-630 % similar
Dibenzo[b,f][1,4]thiazepin-11(10H)-one3159-07-730 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds