Metabolite Trametinib M2 metabolite
- Name
- Trametinib M2 metabolite
- Description
- Not Available
- Structure
Structure for Trametinib M2 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 749.491
Monoisotopic: 749.0994 - Chemical Formula
- C30H29FIN5O9
- InChI Key
- WRGITVKZJKFSRR-BFZHNPFYSA-N
- InChI
- InChI=1S/C30H29FIN5O9/c1-12-20-19(25(35(2)27(12)41)34-18-9-6-13(32)10-17(18)31)28(42)37(15-7-8-15)30(45)36(20)16-5-3-4-14(11-16)33-26-23(40)21(38)22(39)24(46-26)29(43)44/h3-6,9-11,15,21-24,26,33-34,38-40H,7-8H2,1-2H3,(H,43,44)/t21-,22-,23+,24-,26?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-[(3-{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}phenyl)amino]-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(NC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.32 Chemaxon pKa (Strongest Acidic) 3.45 Chemaxon pKa (Strongest Basic) 0.058 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 192.21 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 179.24 m3·mol-1 Chemaxon Polarizability 66.16 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