Structure

InChI Key RLLPVAHGXHCWKJ-UHFFFAOYSA-N
Smile CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20Cl2O3
Molecular Weight 391.29
AlogP 6.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 35.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-sensitive sodium channel blocker DailyMed Wikipedia Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lyme Disease 3 D008193 ClinicalTrials
Lice Infestations 3 D010373 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
27.36
Skin and subcutaneous tissue disorders
27.21
Injury, poisoning and procedural complications
20.14
Nervous system disorders
7.17
Gastrointestinal disorders
3.12
Immune system disorders
2.62

Cross References

Resources Reference
CAS NUMBER 52645-53-1
ChEBI 34911
ChEMBL CHEMBL1525
DrugBank DB04930
DrugCentral 4152
EPA CompTox DTXSID8022292
FDA SRS 509F88P9SZ
Human Metabolome Database HMDB0015604
PharmGKB PA164743137
PubChem 40326
SureChEMBL SCHEMBL26543