CEFPIROME SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII BA5ALU2ZT9
EPA CompTox DTXSID8046909

Structure

InChI Key RKTNPKZEPLCLSF-QHBKFCFHSA-N
Smiles CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1.O=S(=O)(O)O
InChI
InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N6O9S3
Molecular Weight 612.67
AlogP -1.04
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 153.92
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEBI 31378
ChEMBL CHEMBL2106076
FDA SRS BA5ALU2ZT9
PubChem 9960551
SureChEMBL SCHEMBL194241
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