| CAS Number | 1197194-61-8 |
| Catalog Number | AG008TOQ |
| Chemical Name | Endoxifen (E-isomer hydrochloride) |
| IUPAC Name | 4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride |
| InChI | InChI=1S/C25H27NO2.ClH/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2;/h4-16,26-27H,3,17-18H2,1-2H3;1H/b25-24+; |
| InChI Key | RPFIMPDXTABYCN-QREUMGABSA-N |
| MDL Number | MFCD29924733 |
| Molecular Formula | C25H28ClNO2 |
| Molecular Weight | 409.9483 |
| SMILES | CC/C(=C(/c1ccc(cc1)O)c2ccc(cc2)OCCNC)/c3ccccc3.Cl |
| Synonyms | 1197194-61-8,
Endoxifen E-isomer hydrochloride,
E-Endoxifen hydrochloride,
Endoxifen (E-isomer),
AOB5063,
Endoxifen (E-isomer hydrochloride),
BCP18472,
EX-A1161,
AKOS030526307,
A16343,
Phenol, 4-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-, hydrochloride (1:1),
Endoxifen hydrochloride,
Endoxifen (E-isomer ),
112093-28-4,
|
| Complexity | 467 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 409.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.954g/mol |
| Monoisotopic Mass | 409.181g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number