NAFCILLIN

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Synonyms
Status
Molecule Category Free-form
ATC J01CF06
UNII 4CNZ27M7RV
EPA CompTox DTXSID8023343

Structure

InChI Key GPXLMGHLHQJAGZ-JTDSTZFVSA-N
Smiles CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
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

Related Entries

Cross References

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