Fostamatinib

C₂₃H₂₆FN₆O₉PCAS 901119-35-5580.47 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Lactam Phosphate Secondary amine

Properties

Molecular formula: C₂₃H₂₆FN₆O₉P
Molar mass: 580.47 g/mol
Exact mass: 580.1483 Da
logP: 2.52Crippen estimate
Polar surface area: 189.9 Å²
H-bond donors / acceptors: 4 / 11
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

901119-35-5

SMILES

COc1cc(Nc2ncc(F)c(N=c3ccc4c([nH]3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC

InChIKey

GKDRMWXFWHEQQT-UHFFFAOYSA-N

InChI

InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)

Weigh it out

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

Names and synonyms

3 names

2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-
6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
R 788

Work with Fostamatinib

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

Similar compounds

6-[[5-Fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one841290-80-061 % similar Fostamatinib disodium914295-16-252 % similar R406841290-81-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook