105239-91-6
CEFCLIDIN
Name
CEFCLIDIN
Formula
C21 H26 N8 O6 S2
MolWeight
550.618
1Identification
【Name】
CEFCLIDIN
【CAS】
【MDL】
MFCD01939407
【English Synonyms】
【Formula】
C21 H26 N8 O6 S2
【MolWeight】
550.618
【Inchi】
InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21-,29?/m1/s1
【InChIKey】
InChIKey=JUVHVMCKLDZLGN-WFROIARMSA-N
【SMILES】
CO/N=C(/c1nc(sn1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]45CC[C@@](CC4)(CC5)C(=O)N)C(=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:14
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CEFCLIDIN.cml
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