chempirical

Trametinib dimethyl sulfoxide

C28H29FIN5O5SCAS 1187431-43-1693.53 g/mol

Open in Covalent MOL file
ONHNONONHIFNOSO
Aryl halideSecondary amineSulfoxide

Properties

Molecular formula
C28H29FIN5O5S
Molar mass
693.53 g/mol
Exact mass
693.0918 Da
logP
4.58Crippen estimate
Polar surface area
127.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
1187431-43-1
SMILES
CC(O)=Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.CS(C)=O
InChIKey
OQUFJVRYDFIQBW-UHFFFAOYSA-N
InChI
InChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3

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

Names and synonyms

2 names
  • Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-D]pyrimidin-1(2H)-yl]phenyl]-, compd. with 1,1′-sulfinylbis[methane] (1:1)
  • GSK 1120212B

Work with Trametinib dimethyl sulfoxide

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

Trametinib871700-17-392 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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