| CAS Number | 1226917-67-4 |
| Catalog Number | AG009IH0(AGN-PC-0WAGTM) |
| Chemical Name | N-((1r,4r)-4-(2-(6-cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)quinoline-4-carboxamide dihydrochloride |
| IUPAC Name | N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide;dihydrochloride |
| InChI | InChI=1S/C28H30N4O.2ClH/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27;;/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33);2*1H |
| InChI Key | HEZIOTGUXSPDAK-UHFFFAOYSA-N |
| MDL Number | MFCD16627999 |
| Molecular Formula | C28H32Cl2N4O |
| Molecular Weight | 511.4859 |
| SMILES | N#CC1=CC=C2C(CCN(CC[C@H]3CC[C@H](NC(C4=CC=NC5=C4C=CC=C5)=O)CC3)C2)=C1.Cl.Cl |
| Synonyms | SB 277011A dihydrochloride,
1226917-67-4,
SB-277011 dihydrochloride,
N-[trans-4-[2-(6-Cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]cyclohexyl]-4-quinolinecarboxamide dihydrochloride,
SB 277011A,
SB 277011 dihydrochloride,
C28H30N4O.2HCl,
HY-10847A,
AKOS024458034,
CS-0011096,
Y2003,
J-004844,
N-((1R,4r)-4-(2-(6-cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)quinoline-4-carboxamide dihydrochloride,
N-((trans)-4-(2-(6-cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)quinoline-4-carboxamide dihydrochloride,
HEZIOTGUXSPDAK-UHFFFAOYSA-N,
215803-78-4,
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 510.195317g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 511.5g/mol |
| Monoisotopic Mass | 510.195317g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number