Structure

InChI Key KZDCMKVLEYCGQX-UDPGNSCCSA-N
Smile CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O
InChI
InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H40N4O7S
Molecular Weight 588.73
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bacterial Infections 3 D001424 ClinicalTrials
Sepsis 3 D018805 ClinicalTrials
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
39.71
Skin and subcutaneous tissue disorders
9.56
Cardiac disorders
8.82
Vascular disorders
8.82
Nervous system disorders
7.35
Respiratory, thoracic and mediastinal disorders
6.62
General disorders and administration site conditions
5.15
Injury, poisoning and procedural complications
4.41
Psychiatric disorders
3.68
Investigations
2.21
Musculoskeletal and connective tissue disorders
2.21

Cross References

Resources Reference
ChEMBL CHEMBL1200936
EPA CompTox DTXSID40210207
FDA SRS 17R794ESYN
PubChem 22502
SureChEMBL SCHEMBL18076