| CAS Number | 1335138-89-0 |
| Catalog Number | AG01EO3S(AGN-PC-3H4662) |
| Chemical Name | DS-1040 (Tosylate) |
| IUPAC Name | 5-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C16H27N3O2.C7H8O3S/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h10-13,15H,2-9,17H2,1H3,(H,20,21);2-5H,1H3,(H,8,9,10) |
| InChI Key | BEUWOXSXOMMLGF-UHFFFAOYSA-N |
| MDL Number | MFCD31544337 |
| Molecular Formula | C23H35N3O5S |
| Molecular Weight | 465.6061 |
| SMILES | C(O)(=O)[C@H](CC1=CN([C@@H]2CC[C@@H](C)CC2)C=N1)CCCN.C1(S(O)(=O)=O)=CC=C(C)C=C1 |
| Synonyms | DS-1040 (Tosylate),
1335138-89-0,
|
| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.609g/mol |
| Monoisotopic Mass | 465.23g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number