| CAS Number | 289893-26-1 |
| Catalog Number | AG00C2PO(AGN-PC-0R4R16) |
| Chemical Name | Arimoclomol (maleate) |
| IUPAC Name | (Z)-but-2-enedioic acid;(3Z)-N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride |
| InChI | InChI=1S/C14H20ClN3O3.C4H4O4/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;5-3(6)1-2-4(7)8/h4-5,8-9,13,19H,1-3,6-7,10-11H2;1-2H,(H,5,6)(H,7,8)/b16-14-;2-1-/t13-;/m1./s1 |
| InChI Key | OHUSJUJCPWMZKR-GARNONDBSA-N |
| MDL Number | MFCD28143527 |
| Molecular Formula | C18H24ClN3O7 |
| Molecular Weight | 429.8521 |
| SMILES | C1[N+]([O-])=CC=CC=1/C(=N/OC[C@H](O)CN1CCCCC1)/Cl.OC(/C=CC(O)=O)=O |
| Synonyms | 289893-26-1,
(R,Z)-3-(chloro((2-hydroxy-3-(piperidin-1-yl)propoxy)imino)methyl)pyridine 1-oxide maleate,
CID9867325,
CID 9867325,
|
| Complexity | 456 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 429.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.854g/mol |
| Monoisotopic Mass | 429.13g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number