| CAS Number | 1031367-64-2 |
| Catalog Number | AG01ENUQ(AGN-PC-3H4638) |
| Chemical Name | MC 70 HCl |
| IUPAC Name | 4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenol;hydrochloride |
| InChI | InChI=1S/C24H25NO3.ClH/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19;/h3-10,13-14,26H,11-12,15-16H2,1-2H3;1H |
| InChI Key | WVIKMAFTKZTBFM-UHFFFAOYSA-N |
| MDL Number | MFCD00008042 |
| Molecular Formula | C24H25NO3 |
| Molecular Weight | 375.4602 |
| SMILES | COC=1C=C2CCN(CC2=CC1OC)CC1=CC=C(C=C1)C1=CC=C(C=C1)O |
| Synonyms | 1031367-64-2,
MC70 hydrochloride,
MC 70 HCl,
A16080,
4'-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)biphenyl-4-ol hydrochloride,
N.A.,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.926g/mol |
| Monoisotopic Mass | 411.16g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 41.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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