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112457-95-1

Name SM 3997
CAS 112457-95-1
Molecular Formula C21H29N5O2.C6H8O7
Molecular Weight 575.615
MOL File 112457-95-1.mol

Chemical Properties

Melting point  169.5-170°
storage temp.  Inert atmosphere,Store in freezer, under -20°C
form  Solid
color  White to off-white
Water Solubility  Water: 10.4 mg/mL (18.07 mM)
InChIKey DMLGUJHNIWGCKM-DPFKZJTMNA-N
SMILES [C@@]12(C(=O)N(CCCCN3CCN(C4=NC=CC=N4)CC3)C(=O)[C@]1([C@@]1(CC[C@]2(C1)[H])[H])[H])[H].C(O)(C(=O)O)(CC(=O)O)CC(=O)O |&1:0,22,23,26,r|

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