Identification Chemical Properties Hazard Information Supplier

1138245-21-2

Name Mirogabalin besylate
CAS 1138245-21-2
Molecular Formula C18H25NO5S
MDL Number MFCD31631215
Molecular Weight 367.46
MOL File 1138245-21-2.mol

Chemical Properties

storage temp.  Store at -20°C
solubility  DMSO : 125 mg/mL (340.17 mM)
InChI InChI=1/C12H19NO2.C6H6O3S/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8;7-10(8,9)6-4-2-1-3-5-6/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15);1-5H,(H,7,8,9)/t9-,10-,12-;/s3
InChIKey OKJXJRVWXYRSAN-QWGAVYBYNA-N
SMILES S(C1C=CC=CC=1)(O)(=O)=O.C([C@]1(C[C@@]2([H])CC(CC)=C[C@@]12[H])CN)C(=O)O |&1:11,13,20,r|

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