| CAS Number | 1034439-57-0 |
| Catalog Number | AG007XIN(AGN-PC-04T7CJ) |
| Chemical Name | Deoxy Donepezil (hydrochloride) |
| IUPAC Name | 1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C24H31NO2.ClH/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19;/h3-7,15-16,18,20H,8-14,17H2,1-2H3;1H |
| InChI Key | PJOSEOQZAOZSMV-UHFFFAOYSA-N |
| MDL Number | MFCD16294190 |
| Molecular Formula | C24H32ClNO2 |
| Molecular Weight | 401.9694 |
| SMILES | COC1=C(OC)C=C(CC(CC2CCN(CC3=CC=CC=C3)CC2)C4)C4=C1.Cl |
| Synonyms | Deoxy Donepezil Hydrochloride,
1034439-57-0,
1-Benzyl-4-((5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl)piperidine hydrochloride,
CHEMBL486699,
CTK8E8830,
DTXSID30647785,
AKOS030255649,
RT-017328,
FT-0665781,
1-Benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine--hydrogen chloride (1/1),
4-[(2,3-Dihydro-5,6-dimethoxy-1H-inden-2-yl)methyl]-1-(phenylmethyl)piperidine Hydrochloride,
PJOSEOQZAOZSMV-UHFFFAOYSA-N,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.975g/mol |
| Monoisotopic Mass | 401.212g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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