| CAS Number | 1212151-67-1 |
| Catalog Number | AG01EHP2 |
| Chemical Name | rac-(4S,4aS,8aR)-4-phenyldecahydro-4-quinolinol ethanedioate (salt) |
| IUPAC Name | (4S,4aS,8aR)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol;oxalic acid |
| InChI | InChI=1S/C15H21NO.C2H2O4/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15;3-1(4)2(5)6/h1-3,6-7,13-14,16-17H,4-5,8-11H2;(H,3,4)(H,5,6)/t13-,14+,15+;/m0./s1 |
| InChI Key | KODAEYNISPMQSU-ONAKXNSWSA-N |
| MDL Number | MFCD11841322 |
| Molecular Formula | C17H23NO5 |
| Molecular Weight | 321.3682 |
| SMILES | [C@@]1(O)(CCN[C@H]2[C@@H]1CCCC2)C1=CC=CC=C1.C(O)(=O)C(O)=O |
| Synonyms | 1212151-67-1,
MFCD11841322,
AKOS030631301,
MCULE-7592838608,
rac-(4S,4aS,8aR)-4-Phenyldecahydro-4-quinolinol oxalate,
rac-(4S,4aS,8aR)-4-phenyldecahydro-4-quinolinol ethanedioate (salt),
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.373g/mol |
| Monoisotopic Mass | 321.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number