| CAS Number | 207455-21-8 |
| Catalog Number | AG01ENS8(AGN-PC-0WOHCG) |
| Chemical Name | L-693403 (maleate) |
| IUPAC Name | 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];(Z)-but-2-enedioic acid |
| InChI | InChI=1S/C20H23N.C4H4O4/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;5-3(6)1-2-4(7)8/h1-9H,10-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChI Key | WAZQVIBRRAMDNX-BTJKTKAUSA-N |
| MDL Number | MFCD09263256 |
| Molecular Formula | C24H27NO4 |
| Molecular Weight | 393.4755 |
| SMILES | C12(CCN(CC3=CC=CC=C3)CC1)C1=C(C=CC=C1)CC2.C(O)(=O)/C=CC(O)=O |
| Synonyms | L-693,403 MALEATE,
207455-21-8,
137730-52-0,
N-1'-Benzyl-3,4-dihydrospiro[1H-indene-1,4'-piperidine] maleate,
HMS3675K07,
AKOS022182878,
SR-01000597795,
SR-01000597795-1,
N-1'-Benzyl-3,4-dihydrospiro[1H-indene-1,4'-piperidine]maleate,
WAZQVIBRRAMDNX-BTJKTKAUSA-N,
1'-Benzyl-2,3-dihydrospiro[indene-1,4'-piperidine] maleate,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 393.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.483g/mol |
| Monoisotopic Mass | 393.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number