| CAS Number | 1198084-29-5 |
| Catalog Number | AG008WLT(AGN-PC-0WAF01) |
| Chemical Name | rac-cis-2,3-Dichloro Sertraline Hydrochloride |
| IUPAC Name | (1R,4R)-4-(2,3-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride |
| InChI | InChI=1S/C17H17Cl2N.ClH/c1-20-16-10-9-12(11-5-2-3-6-13(11)16)14-7-4-8-15(18)17(14)19;/h2-8,12,16,20H,9-10H2,1H3;1H/t12-,16-;/m1./s1 |
| InChI Key | LDIZHWJFDILCKL-VQZRABBESA-N |
| Molecular Formula | C17H18Cl3N |
| Molecular Weight | 342.6905 |
| SMILES | Cl.CN[C@H]1CC[C@@H](c2cccc(Cl)c2Cl)c3ccccc13 |
| Synonyms | rac-cis-2,3-Dichloro Sertraline Hydrochloride,
1198084-29-5,
DTXSID40747609,
FT-0666630,
(1S,4R)-4-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methylnaphthalenamine Hydrochloride,
(1R,4R)-4-(2,3-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1),
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.688g/mol |
| Monoisotopic Mass | 341.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number