CEFPIROME SULFATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BA5ALU2ZT9

Structure
InChI Key RKTNPKZEPLCLSF-QHBKFCFHSA-N
Smile 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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31378
ChEMBL CHEMBL2106076
EPA CompTox DTXSID8046909
FDA SRS BA5ALU2ZT9
PubChem 9960551
SureChEMBL SCHEMBL194241
CONTENTS