| CAS Number | 1219922-30-1 |
| Catalog Number | AG009BPR(AGN-PC-0WOZFP) |
| Chemical Name | rac-Anatoxin A Fumarate |
| IUPAC Name | 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone;(E)-but-2-enedioic acid |
| InChI | InChI=1S/C10H15NO.C4H4O4/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;5-3(6)1-2-4(7)8/h4,8,10-11H,2-3,5-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChI Key | ZJSIFVODFDHYJU-WLHGVMLRSA-N |
| MDL Number | MFCD09701958 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | C(\C=C\C(=O)O)(=O)O.C12C(=CCCC(CC1)N2)C(C)=O |
| Synonyms | (+/-)-Anatoxin A fumarate,
1219922-30-1,
(+)-AnatoxinA,
rac-Anatoxin A Fumarate,
AKOS024458650,
(+/-)-2-Acetyl-9-aza bicyclo[4.2.1]non-2-ene fumarate,
64285-06-9,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number