| CAS Number | 94724-12-6 |
| Catalog Number | AG006T11(AGN-PC-0W4CQQ) |
| Chemical Name | 1-(2-Methylaminoethyl)-4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]benzene |
| IUPAC Name | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine;molecular hydrogen;dihydrochloride |
| InChI | InChI=1S/C32H45N3O3.2ClH.3H2/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;;;/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3;5*1H |
| InChI Key | JBUOZOMGMXJHSP-UHFFFAOYSA-N |
| MDL Number | MFCD00077679 |
| Molecular Formula | C32H45N3O3 |
| Molecular Weight | 519.7180 |
| SMILES | CNCCc1ccc(c(c1)Cc2cc(cc(c2OC)Cc3cc(ccc3OC)CCNC)CCNC)OC |
| Synonyms | Compound 48/80 trihydrochloride,
94724-12-6,
|
| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 597.346g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 598.694g/mol |
| Monoisotopic Mass | 597.346g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 63.8A^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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