Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01CF06
UNII: 4CNZ27M7RV

Structure

InChI Key GPXLMGHLHQJAGZ-JTDSTZFVSA-N
Smile CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
InChI
InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22N2O5S
Molecular Weight 414.48
AlogP 2.48
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 3 D010019 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Gram-Positive Bacterial Infections 2 D016908 ClinicalTrials
Bacteremia 2 D016470 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 147-52-4
ChEBI 7447
ChEMBL CHEMBL1443
DrugBank DB00607
DrugCentral 1869
EPA CompTox DTXSID8023343
FDA SRS 4CNZ27M7RV
Human Metabolome Database HMDB0014745
Guide to Pharmacology 10942
KEGG C07250
PharmGKB PA450576
PubChem 8982
SureChEMBL SCHEMBL47797
ZINC ZINC000003875980