Metabolite Trametinib M4 metabolite
- Name
- Trametinib M4 metabolite
- Description
- Not Available
- Structure
Structure for Trametinib M4 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 765.49
Monoisotopic: 765.09432 - Chemical Formula
- C30H29FIN5O10
- InChI Key
- IGXOTSIHRCCVJX-BPFXMCOWSA-N
- InChI
- InChI=1S/C30H29FIN5O10/c1-11-20-19(25(35(2)26(11)41)34-17-7-3-12(32)9-15(17)31)27(42)37(13-4-5-13)30(45)36(20)14-6-8-18(16(33)10-14)46-29-23(40)21(38)22(39)24(47-29)28(43)44/h3,6-10,13,21-24,29,34,38-40H,4-5,33H2,1-2H3,(H,43,44)/t21-,22-,23+,24-,29?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-(2-amino-4-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,6H,7H-pyrido[4,3-d]pyrimidin-1-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(N)=C(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -0.01 Chemaxon pKa (Strongest Acidic) 2.61 Chemaxon pKa (Strongest Basic) 3.99 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 215.43 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 180.21 m3·mol-1 Chemaxon Polarizability 67.54 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon