| CAS Number | 203564-54-9 |
| Catalog Number | AG01DX8A(AGN-PC-0QTTM2) |
| Chemical Name | (R)-5-(Azetidin-2-ylmethoxy)-2-chloropyridine hydrochloride |
| IUPAC Name | 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine;hydrochloride |
| InChI | InChI=1S/C9H11ClN2O.ClH/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;/h1-2,5,7,11H,3-4,6H2;1H/t7-;/m1./s1 |
| InChI Key | GYVARJONEFSAJB-OGFXRTJISA-N |
| MDL Number | MFCD30738020 |
| Molecular Formula | C9H12Cl2N2O |
| Molecular Weight | 235.1104 |
| SMILES | O(C[C@H]1CCN1)C=2C=CC(Cl)=NC2.Cl |
| UNII | 48U2WUT775 |
| Synonyms | Tebanicline hydrochloride,
ABT-594 hydrochloride,
203564-54-9,
UNII-48U2WUT775,
Tebanicline (hydrochloride),
48U2WUT775,
Tebanicline HCl,
Ebanicline hydrochloride,
SCHEMBL15663029,
5-((2R)-2-Azetidinylmethoxy)-2-chloropyridine, hydrochloride,
BCP25177,
HY-14316A,
Pyridine, 5-((2R)-2-azetidinylmethoxy)-2-chloro-, hydrochloride (1:1),
CS-6400,
Pyridine, 5-[(2R)-2-azetidinylmethoxy]-2-chloro-, monohydrochloride,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.108g/mol |
| Monoisotopic Mass | 234.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number