Structure

InChI Key JXSJBGJIGXNWCI-UHFFFAOYSA-N
Smile CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19O6PS2
Molecular Weight 330.36
AlogP 2.12
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 71.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor Wikipedia Wikipedia FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lice Infestations 3 D010373 ClinicalTrials

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
19.55
Skin and subcutaneous tissue disorders
15.04
Injury, poisoning and procedural complications
12.03
Gastrointestinal disorders
10.53
General disorders and administration site conditions
7.52
Eye disorders
6.77
Cardiac disorders
6.02
Ear and labyrinth disorders
4.51
Respiratory, thoracic and mediastinal disorders
4.51
Immune system disorders
2.26
Investigations
2.26
Musculoskeletal and connective tissue disorders
2.26
Psychiatric disorders
2.26
Vascular disorders
2.26

Cross References

Resources Reference
CAS NUMBER 121-75-5
ChEBI 141474
ChEMBL CHEMBL1200468
DrugBank DB00772
DrugCentral 1626
EPA CompTox DTXSID4020791
FDA SRS U5N7SU872W
Human Metabolome Database HMDB0014910
KEGG C07497
PharmGKB PA164748092
PubChem 4004
SureChEMBL SCHEMBL27358
ZINC ZINC01530800