| CAS Number | 864741-95-7 |
| Catalog Number | AG01E5BN(AGN-PC-0V5PV9) |
| Chemical Name | SB699551dihydrochloride |
| IUPAC Name | 3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide;dihydrochloride |
| InChI | InChI=1S/C34H45N3O.2ClH/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29;;/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3;2*1H |
| InChI Key | QJMKBIHLMPTYTI-UHFFFAOYSA-N |
| MDL Number | MFCD11112202 |
| Molecular Formula | C34H47Cl2N3O |
| Molecular Weight | 584.6625 |
| SMILES | CN(CCN(C(CCC1CCCC1)=O)CC2=CC=C(C3=CC=C(CNCCC4=CC=CC=C4)C=C3)C=C2)C.Cl.Cl |
| Synonyms | SB 699551,
864741-95-7,
N-[2-(DIMETHYLAMINO)ETHYL]-N-[[4'-[[(2-PHENYLETHYL)AMINO]METHYL][1,1'-BIPHENYL]-4-YL]METHYL]CYCLOPENTANEPROPANAMIDE DIHYDROCHLORIDE,
791789-61-2,
SB699551Dihydrochloride,
SB 699551 dihydrochloride,
CHEMBL535371,
ABP000439,
AKOS024457465,
API0006983,
SB 699551/SB-699551,
3-Cyclopentyl-N-(2-dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-propionamide dihydrochloride,
709000-48-6,
N-[2-(Dimethylamino)ethyl]-N-[[4'-[[ (2-phenylethyl)amino]methyl][1,1'-biphenyl]-4-yl]me thyl]cyclopentanepropanamide dihydrochloride,
QJMKBIHLMPTYTI-UHFFFAOYSA-N,
CID11983346,
CID 11983346,
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-[(2-phenoxyacetyl)amino]benzamide,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.31g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.67g/mol |
| Monoisotopic Mass | 583.31g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number