Synonyms:
Status: Approved (1983)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DD07
UNII: C43C467DPE

Structure

InChI Key NNULBSISHYWZJU-LLKWHZGFSA-N
Smile CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H13N5O5S2
Molecular Weight 383.41
AlogP -0.56
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 147.21
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 68401-81-0
ChEBI 553473
ChEMBL CHEMBL528
DrugBank DB01332
DrugCentral 563
EPA CompTox DTXSID5022772
FDA SRS C43C467DPE
Human Metabolome Database HMDB0015427
Guide to Pharmacology 10785
KEGG C06890
PharmGKB PA164748758
PubChem 6533629
SureChEMBL SCHEMBL37504
ZINC ZINC000003830477