| CAS Number | 250159-48-9 |
| Catalog Number | AG00BF45(AGN-PC-0R0RIZ) |
| Chemical Name | (SP-4-2)-[(1R,2R)-1,2-Cyclohexanediamine-kN,kN']bis(tetradecanoato-kO)platinum monohydrate |
| IUPAC Name | (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoate;hydrate |
| InChI | InChI=1S/2C14H28O2.C6H14N2.H2O.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;1H2;/q;;;;+2/p-2/t;;5-,6-;;/m..1../s1 |
| InChI Key | LWDBMUAJGMXQAY-GSEQGPDBSA-L |
| MDL Number | MFCD22572709 |
| Molecular Formula | C34H70N2O5Pt |
| Molecular Weight | 782.008 |
| SMILES | CCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCC([O-])=O.N[C@H]1[C@H](N)CCCC1.O.[Pt+2] |
| UNII | 75H6U03J2H |
| Synonyms | Miriplatin monohydrate,
UNII-75H6U03J2H,
Miriplatin hydrate,
75H6U03J2H,
250159-48-9,
Miripla (TN),
Miriplatin hydrate (JAN),
DTXSID50179715,
D06294,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 781.493g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 782.027g/mol |
| Monoisotopic Mass | 781.493g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number