| CAS Number | 851916-42-2 |
| Catalog Number | AG00G3SL(AGN-PC-0UYNUE) |
| Chemical Name | MK-0812 (Succinate) |
| IUPAC Name | butanedioic acid;[(1S)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone |
| InChI | InChI=1S/C24H34F3N3O3.C4H6O4/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27;5-3(6)1-2-4(7)8/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t18?,20?,21?,23-;/m0./s1 |
| InChI Key | WPPJJJUIDYHHSM-NATDTKDYSA-N |
| MDL Number | MFCD30489753 |
| Molecular Formula | C28H40F3N3O7 |
| Molecular Weight | 587.6283 |
| SMILES | O=C([C@]1(CC[C@@H](N[C@@H]2[C@H](OC)COCC2)C1)C(C)C)N1CC2C=C(C(F)(F)F)C=NC=2CC1.C(O)(=O)CCC(O)=O |
| Synonyms | MK-0812 Succinate,
851916-42-2,
BCP20789,
((1S,3R)-1-Isopropyl-3-(((3S,4R)-3-methoxytetrahydro-2H-pyran-4-yl)amino)cyclopentyl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanone succinate,
624733-89-7,
|
| Complexity | 784 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 587.282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 587.637g/mol |
| Monoisotopic Mass | 587.282g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number