| CAS Number | 2070015-25-5 |
| Catalog Number | AG01EO5Z(AGN-PC-3H4680) |
| Chemical Name | EPZ020411 hydrochloride |
| IUPAC Name | N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;hydrochloride |
| InChI | InChI=1S/C25H38N4O3.ClH/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19;/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28);1H |
| InChI Key | LIDZHJMYAKPGOJ-UHFFFAOYSA-N |
| MDL Number | MFCD29924736 |
| Molecular Formula | C25H39ClN4O3 |
| Molecular Weight | 479.0552 |
| SMILES | Cl.CN(CCNC)CC=1C(=NNC1)C1=CC=C(C=C1)O[C@@H]1C[C@H](C1)OCCC1CCOCC1 |
| Synonyms | EPZ020411 hydrochloride,
EPZ020411 (hydrochloride),
2070015-25-5,
EPZ020411 HCl,
HY-12970A,
CS-5501,
1700663-41-7,
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| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.271g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.062g/mol |
| Monoisotopic Mass | 478.271g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number