| CAS Number | 66170-32-9 |
| Catalog Number | AG01FPP1(AGN-PC-0TJP9R) |
| Chemical Name | 1,2-Dehydroxy Tramadol Hydrochloride (~85%) |
| IUPAC Name | 1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine;hydrochloride |
| InChI | InChI=1S/C16H23NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-9,11H,4-5,7,10,12H2,1-3H3;1H |
| InChI Key | HRDKNHRQACZKLL-UHFFFAOYSA-N |
| MDL Number | MFCD22373767 |
| Molecular Formula | C16H24ClNO |
| Molecular Weight | 281.8209 |
| SMILES | Cl.COc1cccc(c1)C2=C(CN(C)C)CCCC2 |
| Synonyms | 2-(3-Methoxyphenyl)-N,N-dimethyl-1-cyclohexene-1-methanamine hydrochloride,
9025AE,
66170-32-9,
[2-(3-Methoxyphenyl)cyclohex-1-enyl]-N,N-dimethylmethanamine Hydrochloride,
1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine;hydrochloride,
Tramadol EP Impurity B,
C16H24ClNO,
73825-64-6,
{[2-(3-methoxyphenyl)cyclohex-1-en-1-yl]methyl}dimethylamine hydrochloride,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.154642g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.82g/mol |
| Monoisotopic Mass | 281.154642g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number