| CAS Number | 495076-64-7 |
| Catalog Number | AG00DLW6(AGN-PC-0S3HJJ) |
| Chemical Name | 4-(benzyloxy)-N-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide hydrochloride |
| IUPAC Name | N-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide;hydrochloride |
| InChI | InChI=1S/C24H32N2O4.ClH/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18;/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27);1H |
| InChI Key | NIPQJILJYQVZJR-UHFFFAOYSA-N |
| MDL Number | MFCD23701926 |
| Molecular Formula | C24H33ClN2O4 |
| Molecular Weight | 448.9828 |
| SMILES | Cl.COC1=C(OCC2=CC=CC=C2)C(OC)=CC(C(NCC2(N(C)C)CCCC2)=O)=C1 |
| Synonyms | Org 25543 hydrochloride,
495076-64-7,
Org 25543 HCl,
4-(benzyloxy)-N-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide hydrochloride,
AKOS024458345,
MCULE-8608503945,
NE51935,
B5713,
Z1871926507,
N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)benzamide hydrochloride,
Org 25543,
NIPQJILJYQVZJR-UHFFFAOYSA-N,
CID10095215,
N-[(1-dimethylaminocyclopentyl)methyl]-3,5-dimethoxy-4-phenylmethoxy-benzamide Hydrochloride,
|
| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 448.213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 448.988g/mol |
| Monoisotopic Mass | 448.213g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 60A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number