1001404-83-6

Name AAI-101
CAS 1001404-83-6
Molecular Formula C11H14N4O5S
MDL Number MFCD30803316
Molecular Weight 314.318
MOL File 1001404-83-6.mol
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Chemical Properties

storage temp.  Store at -20°C, protect from light, stored under nitrogen
solubility  DMSO:113.3(Max Conc. mg/mL);360.46(Max Conc. mM)
form  A solid
color  White to off-white
InChI InChI=1S/C11H14N4O5S/c1-11(6-14-4-3-13(2)12-14)9(10(17)18)15-7(16)5-8(15)21(11,19)20/h3-4,8-9H,5-6H2,1-2H3/t8-,9+,11+/m1/s1
InChIKey HFZITXBUTWITPT-YWVKMMECSA-N
SMILES S1([C@]2([H])C([H])([H])C(N2[C@@]([H])(C(=O)[O-])[C@]1(C([H])([H])[H])C([H])([H])N1C([H])=C([H])[N+](C([H])([H])[H])=N1)=O)(=O)=O

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