| CAS Number | 1093131-03-3 |
| Catalog Number | AG01EOGM(AGN-PC-3H46DC) |
| Chemical Name | Veledimex S enantiomer |
| IUPAC Name | N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide |
| InChI | InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30) |
| InChI Key | LZWZPGLVHLSWQX-UHFFFAOYSA-N |
| MDL Number | MFCD31382195 |
| Molecular Formula | C27H38N2O3 |
| Molecular Weight | 438.6022 |
| SMILES | C(NN(C(=O)C1=CC(C)=CC(C)=C1)[C@H](C(C)(C)C)CCC)(=O)C1=CC=CC(OC)=C1CC |
| Synonyms | Veledimex (racemate),
Veledimex (S enantiomer),
1093131-03-3,
SCHEMBL2323179,
HY-16785A,
CS-6872,
Veledimex,
Veledimex racemate,
1093130-72-3,
755013-59-3,
|
| Complexity | 605 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.612g/mol |
| Monoisotopic Mass | 438.288g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number