AMG-900 bismesylate dihydrateProduct ingredient for AMG-900
- Name
- AMG-900 bismesylate dihydrate
- Drug Entry
- AMG-900
- Accession Number
- DBSALT003303
- Structure
Structure for AMG-900 bismesylate dihydrate (DBSALT003303)
- Synonyms
- AMG-900 bis-mesylate dihydrate
- UNII
- E717YSV70L
- CAS Number
- Not Available
- Weight
- Average: 731.81
Monoisotopic: 731.150189193 - Chemical Formula
- C30H33N7O9S3
- InChI Key
- LINJGTOZMRMDBO-UHFFFAOYSA-N
- InChI
- InChI=1S/C28H21N7OS.2CH4O3S.2H2O/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;2*1-5(2,3)4;;/h2-16H,1H3,(H,32,35)(H2,29,31,33);2*1H3,(H,2,3,4);2*1H2
- IUPAC Name
- N-(4-{[3-(2-imino-1,2-dihydropyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)-4-(4-methylthiophen-2-yl)phthalazin-1-amine bis(methanesulfonic acid) dihydrate
- SMILES
- O.O.CS(O)(=O)=O.CS(O)(=O)=O.CC1=CSC(=C1)C1=NN=C(NC2=CC=C(OC3=C(C=CC=N3)C3=NC(=N)NC=C3)C=C2)C2=CC=CC=C12
- External Links
- Not Available
- Predicted Properties
Property Value Source logP 5.1 Chemaxon pKa (Strongest Acidic) 8.61 Chemaxon pKa (Strongest Basic) 12.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 108.17 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 156.54 m3·mol-1 Chemaxon Polarizability 53.9 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