Encorafenib
Properties
- Molecular formula
- C22H27ClFN7O4S
- Molar mass
- 540.01 g/mol
- Exact mass
- 539.1518 Da
- logP
- 4.11Crippen estimate
- Polar surface area
- 143.6 Ų
- H-bond donors / acceptors
- 3 / 8
- Rotatable bonds
- 9
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H351 Suspected of causing cancer66.7% of notifiers
- H360 May damage fertility or the unborn child33.3% of notifiers
- H361 Suspected of damaging fertility or the unborn child66.7% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure66.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers
- H400 Very toxic to aquatic life33.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P273, P280, P318, P319, P391, P405, P501
Identifiers
CAS number
1269440-17-6SMILES
COC(O)=N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1InChIKey
CMJCXYNUCSMDBY-ZDUSSCGKSA-NInChI
InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Carbamic acid, N-[(1S)-2-[[4-[3-[5-chloro-2-fluoro-3-[(methylsulfonyl)amino]phenyl]-1-(1-methylethyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-1-methylethyl]-, methyl ester
- LGX 818
- (S)-Methyl [1-[[4-[3-[5-chloro-2-fluoro-3-(methylsulfonamido)phenyl]-1-isopropyl-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
- NVP-LGX 818NXA
- Braftovi