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178949-04-7

Name Cefdinir IMpurity 3 (Cefdinir Decarboxy Open Ring Lactone (Mixture of A and B))
CAS 178949-04-7
Molecular Formula C13H15N5O4S2
MDL Number MFCD28143463
Molecular Weight 369.41
MOL File 178949-04-7.mol

Chemical Properties

Melting point  >166°C (dec.)
density  1.86±0.1 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 8?+-.0.14(Predicted)
color  Off-White to Pale Beige
InChI InChI=1S/C13H15N5O4S2/c1-5-6-3-23-8(17-9(6)12(20)22-5)2-15-11(19)10(18-21)7-4-24-13(14)16-7/h4-5,8,17,21H,2-3H2,1H3,(H2,14,16)(H,15,19)/b18-10+
InChIKey PPVBFUWHFJBAJX-VCHYOVAHSA-N
SMILES O=C1OC(C)C2CSC(CNC(=O)/C(/C3N=C(N)SC=3)=N/O)NC1=2

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