ALBITIAZOLIUM BROMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3AC0AJ4ILP

Structure
InChI Key AFJCGBHHSKAACR-UHFFFAOYSA-L
Smile Cc1c(CCO)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCO)c1C.[Br-].[Br-]
InChI
InChI=1S/C24H42N2O2S2.2BrH/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2;;/h19-20,27-28H,3-18H2,1-2H3;2*1H/q+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H42Br2N2O2S2
Molecular Weight 614.55
AlogP 4.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 48.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 2 D008288 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL520613
EPA CompTox DTXSID60185968
FDA SRS 3AC0AJ4ILP
PubChem 11377022
SureChEMBL SCHEMBL2017697
CONTENTS