Osimertinib mesylate

C₂₉H₃₇N₇O₅SCAS 1421373-66-1595.72 g/mol

Open in Covalent MOL file

Alkene Ether Secondary amine Sulfonic acid Tertiary amine

Properties

Molecular formula: C₂₉H₃₇N₇O₅S
Molar mass: 595.72 g/mol
Exact mass: 595.2577 Da
logP: 4.66Crippen estimate
Polar surface area: 145.4 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 10

Hazards

Danger

H302 Harmful if swallowed75% of notifiers
H317 May cause an allergic skin reaction75% of notifiers
H360 May damage fertility or the unborn child25% of notifiers
H361 Suspected of damaging fertility or the unborn child75% of notifiers
H362 May cause harm to breast-fed children25% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure75% of notifiers
H400 Very toxic to aquatic life75% of notifiers
H410 Very toxic to aquatic life with long lasting effects75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

1421373-66-1

SMILES

C=CC(O)=Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O

InChIKey

FUKSNUHSJBTCFJ-UHFFFAOYSA-N

InChI

InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

2 names

2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-4-methoxy-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1)
AZD 9291 mesylate

Work with Osimertinib mesylate

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

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.

Methanesulfonic acid75-75-2Free acid Osimertinib1421373-65-0Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

Mutated egfr-in-11421372-66-865 % similar N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-962 % similar Az-51041421373-98-953 % similar Tak-7881847461-43-151 % similar N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine1421372-94-247 % similar 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glpg01871320346-97-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook