METHICILLIN

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: Q91FH1328A

Structure
InChI Key RJQXTJLFIWVMTO-TYNCELHUSA-N
Smile COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
InChI
InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O6S
Molecular Weight 380.42
AlogP 0.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.17
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6827
ChEMBL CHEMBL575
DrugBank DB01603
DrugCentral 1744
EPA CompTox DTXSID6023284
FDA SRS Q91FH1328A
Human Metabolome Database HMDB0015541
KEGG C07177
PDB MII
PharmGKB PA164777034
SureChEMBL SCHEMBL4898
ZINC ZINC000003831070
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