| CAS Number | 1781835-20-8 |
| Catalog Number | AG01ENMU(AGN-PC-3H4602) |
| Chemical Name | 2-(4-BENZYOYLPHENOXY)-N-[1-(PHENYLMETHYL)-4-PIPERIDINYL]ACETAMIDEHYDROCHLORIDE |
| IUPAC Name | 2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide;hydrochloride |
| InChI | InChI=1S/C27H28N2O3.ClH/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22;/h1-14,24H,15-20H2,(H,28,30);1H |
| InChI Key | TZVJQEGKRLDTHQ-UHFFFAOYSA-N |
| MDL Number | MFCD27991295 |
| Molecular Formula | C27H29ClN2O3 |
| Molecular Weight | 464.9838 |
| SMILES | Cl.O=C(C=1C=CC=CC1)C2=CC=C(OCC(=O)NC3CCN(CC=4C=CC=CC4)CC3)C=C2 |
| Synonyms | AdipoRon hydrochloride,
1781835-20-8,
AKOS024458492,
HY-110164,
CS-0033026,
2-(4-Benzyoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]acetamide hydrochloride,
2-(4-Benzyoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]acetamidehydrochloride,
|
| Complexity | 582 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.99g/mol |
| Monoisotopic Mass | 464.187g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number