Structure

InChI Key VVNCNSJFMMFHPL-VKHMYHEASA-N
Smile CC(C)(S)[C@@H](N)C(=O)O
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11NO2S
Molecular Weight 149.22
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Action Mechanism of Action Reference
CHELATING AGENT Copper chelating agent DailyMed

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Central Nervous System Neoplasms 2 D016543 ClinicalTrials

Related Entries

Salt

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
10.91
Nervous system disorders
8.38
General disorders and administration site conditions
8.02
Skin and subcutaneous tissue disorders
7.96
Gastrointestinal disorders
6.31
Immune system disorders
5.96
Renal and urinary disorders
5.72
Hepatobiliary disorders
5.01
Vascular disorders
3.95
Respiratory, thoracic and mediastinal disorders
3.89
Infections and infestations
3.83
Musculoskeletal and connective tissue disorders
3.42
Eye disorders
3.13
Metabolism and nutrition disorders
3.07
Investigations
3.01
Congenital, familial and genetic disorders
2.95
Psychiatric disorders
2.89
Blood and lymphatic system disorders
2.48
Surgical and medical procedures
2.48

Cross References

Resources Reference
CAS NUMBER 52-67-5
ChEBI 7959
ChEMBL CHEMBL1430
DrugBank DB00859
DrugCentral 2081
EPA CompTox DTXSID6037069
FDA SRS GNN1DV99GX
Guide to Pharmacology 7264
KEGG C07418
PDB LEI
PharmGKB PA450840
PubChem 5852
SureChEMBL SCHEMBL4343
ZINC ZINC000000114127