| CAS Number | 473268-46-1 |
| Catalog Number | AG01EO0D(AGN-PC-3H4652) |
| Chemical Name | ADDA 5 hydrochloride |
| IUPAC Name | 1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C24H35NO2.ClH/c26-23(16-25-7-5-21-3-1-2-4-22(21)15-25)17-27-8-6-24-12-18-9-19(13-24)11-20(10-18)14-24;/h1-4,18-20,23,26H,5-17H2;1H |
| InChI Key | YZSRZEWBOXEFRJ-UHFFFAOYSA-N |
| MDL Number | MFCD02053515 |
| Molecular Formula | C24H36ClNO2 |
| Molecular Weight | 406.0011 |
| SMILES | Cl.C12(CC3CC(CC(C1)C3)C2)CCOCC(CN2CC3=CC=CC=C3CC2)O |
| Synonyms | ADDA 5 hydrochloride,
473268-46-1,
AC1MERML,
HY-U00448,
1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol Hydrochloride,
ADDA 5 hydrochloride, >=98% (HPLC),
CS-0035404,
CID2882960,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.007g/mol |
| Monoisotopic Mass | 405.243g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number