CEFONICID

Search structure
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DC06
UNII: 6532B86WFG

Structure
InChI Key DYAIAHUQIPBDIP-AXAPSJFSSA-N
Smile O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12
InChI
InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N6O8S3
Molecular Weight 542.58
AlogP -0.92
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 204.91
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3491
ChEMBL CHEMBL1601
DrugBank DB01328
DrugCentral 542
EPA CompTox DTXSID7022758
FDA SRS 6532B86WFG
Human Metabolome Database HMDB0015423
KEGG C06882
PubChem 43594
SureChEMBL SCHEMBL60350
ZINC ZINC000003830428
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