| CAS Number | 1609404-06-9 |
| Catalog Number | AG00J3AT(AGN-PC-0WRATY) |
| Chemical Name | N-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-amine dioxalate |
| IUPAC Name | oxalic acid;N-(oxolan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine |
| InChI | InChI=1S/C12H22N2O.2C2H2O4/c1-2-11(15-7-1)8-13-12-9-14-5-3-10(12)4-6-14;2*3-1(4)2(5)6/h10-13H,1-9H2;2*(H,3,4)(H,5,6) |
| InChI Key | FHSKCTVFVXHKLA-UHFFFAOYSA-N |
| MDL Number | MFCD13194020 |
| Molecular Formula | C16H26N2O9 |
| Molecular Weight | 390.3856 |
| SMILES | C(O)(=O)C(O)=O.C(O)(=O)C(O)=O.N12CCC(C(NCC3CCCO3)C1)CC2 |
| Synonyms | 1609404-06-9,
N-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-amine dioxalate,
N-(tetrahydro-2-furanylmethyl)quinuclidin-3-amine diethanedioate,
ZX-CM014192,
AKOS027426693,
N-(Tetrahydro-2-furanylmethyl)quinuclidin-3-amine dioxalate, AldrichCPR,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.389g/mol |
| Monoisotopic Mass | 390.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 174A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number