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1436861-97-0

Name Zidebactam
CAS 1436861-97-0
Molecular Formula C13H21N5O7S
MDL Number MFCD32062794
Molecular Weight 391.4
MOL File 1436861-97-0.mol
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Chemical Properties

density  1?+-.0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:250.0(Max Conc. mg/mL);638.73(Max Conc. mM)
Water:50.0(Max Conc. mg/mL);127.75(Max Conc. mM)
form  A solid
pka -4.59±0.18(Predicted)
color  White to yellow
InChI InChI=1/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/s3
InChIKey YCZPXRQPDCXTIO-GTUQAFHNNA-N
SMILES C([C@@H]1CC[C@H]2N(OS(O)(=O)=O)C(=O)[N@@]1C2)(=O)NNC([C@H]1CNCCC1)=O |&1:1,4,13,19,r|

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