103238-57-9
CEFEMPIDONE
Name
CEFEMPIDONE
Formula
C22 H21 N7 O6 S2
MolWeight
543.583
1Identification
【Name】
CEFEMPIDONE
【CAS】
【MDL】
MFCD00864969
【English Synonyms】
【Formula】
C22 H21 N7 O6 S2
【MolWeight】
543.583
【Inchi】
InChI=1S/C22H21N7O6S2/c23-22-25-8-13(37-22)14(27-35-12-4-5-24-17(12)30)18(31)26-15-19(32)29-16(21(33)34)11(10-36-20(15)29)9-28-6-2-1-3-7-28/h1-3,6-8,12,15,20H,4-5,9-10H2,(H4-,23,24,25,26,27,30,31,33,34)/t12?,15-,20-/m1/s1
【InChIKey】
InChIKey=CUCFRCCRYQDMNM-PXIRVSTKSA-N
【SMILES】
c1cc[n+](cc1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC4CCNC4=O)/c5cnc(s5)N)SC2)C(=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:13
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CEFEMPIDONE.cml
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