| CAS Number | 3422-42-2 |
| Catalog Number | AG00C91F(AGN-PC-0WBNFY) |
| Chemical Name | (-)-Coclaurine hydrochloride |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride |
| InChI | InChI=1S/C17H19NO3.ClH/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11;/h2-5,9-10,15,18-20H,6-8H2,1H3;1H |
| InChI Key | VDUZDGFETHGVJK-UHFFFAOYSA-N |
| MDL Number | MFCD31700607 |
| Molecular Formula | C17H20ClNO3 |
| Molecular Weight | 321.7986 |
| NSC Number | 131673 |
| SMILES | C([C@H]1C=2C(=CC(OC)=C(O)C2)CCN1)C3=CC=C(O)C=C3.Cl |
| Synonyms | (-)-Coclaurine Hydrochloride,
NSC131673,
NSC-131673,
3422-42-2,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.801g/mol |
| Monoisotopic Mass | 321.113g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number