| CAS Number | 2070015-00-6 |
| Catalog Number | AG01EOQC(AGN-PC-3H46HL) |
| Chemical Name | GNE-7915 (tosylate) |
| IUPAC Name | [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C19H21F4N5O3.C7H8O3S/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-6-2-4-7(5-3-6)11(8,9)10/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27);2-5H,1H3,(H,8,9,10) |
| InChI Key | VYAOJDYMEMFZKS-UHFFFAOYSA-N |
| MDL Number | MFCD04115080 |
| Molecular Formula | C26H29F4N5O6S |
| Molecular Weight | 615.597 |
| SMILES | CCNC1C(C(F)(F)F)=CN=C(NC2C=C(F)C(C(=O)N3CCOCC3)=CC=2OC)N=1.CC1C=CC(S(=O)(O)=O)=CC=1 |
| Synonyms | GNE-7915 tosylate,
GNE-7915 (tosylate),
(4-((4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-2-fluoro-5-methoxyphenyl)(morpholino)methanone 4-methylbenzenesulfonate,
2070015-00-6,
HY-18163A,
AKOS027422748,
CS-3095,
1351761-44-8,
|
| Complexity | 800 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 615.177g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 615.601g/mol |
| Monoisotopic Mass | 615.177g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number