23239-41-0
CEFACETRILE SODIUM
Name
CEFACETRILE SODIUM
Formula
C13 H12 N3 O6 S . Na
MolWeight
361.309
1Identification
【Name】
CEFACETRILE SODIUM
【CAS】
【MDL】
MFCD01682009
【English Synonyms】
【Formula】
C13 H12 N3 O6 S . Na
【MolWeight】
361.309
【Inchi】
InChI=1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1
【InChIKey】
InChIKey=GXCRUTWHNMMJEK-WYUVZMMLSA-M
【SMILES】
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CEFACETRILE SODIUM.cml
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