| CAS Number | 161416-61-1 |
| Catalog Number | AG01E2HZ(AGN-PC-0Q81QA) |
| Chemical Name | 2-Methyl-3-[(2S)-2-pyrrolidinylmethoxy]-pyridineDihydrochloride |
| IUPAC Name | 2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride |
| InChI | InChI=1S/C11H16N2O.2ClH/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10;;/h3,5-6,10,13H,2,4,7-8H2,1H3;2*1H/t10-;;/m0../s1 |
| InChI Key | UGVSESCRKJTJAK-XRIOVQLTSA-N |
| MDL Number | MFCD00929191 |
| Molecular Formula | C11H18Cl2N2O |
| Molecular Weight | 265.1794 |
| SMILES | CC1=NC=CC=C1OC[C@H]2NCCC2.[H]Cl.[H]Cl |
| Synonyms | 161416-61-1,
Pozanicline hydrochloride,
ABT 089 dihydrochloride,
SCHEMBL5139644,
AKOS025293486,
LS-173549,
ABT-089 dihydrochloride, >=98% (HPLC),
A-87089,
2-methyl-3-(2-(s)-pyrrolidinylmethoxy)pyridine dihydrochloride,
2-Methyl-3-[(2S)-pyrrolidinylmethoxy]pyridine dihydrochloride,
2-Methyl-3-[(2S)-2-pyrrolidinylmethoxy]-pyridineDihydrochloride,
2-methyl-3-(2-pyrrolidinylmethoxy)pyridine dihydrochloride, (S)-isomer,
Abt-089,
C11H16N2O.2HCl,
A-87089.74,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.178g/mol |
| Monoisotopic Mass | 264.08g/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
Certificate of Analysis
Lot Number