ALAGEBRIUM CHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 79QS8K2877

Structure
InChI Key MKOMESMZHZNBIZ-UHFFFAOYSA-M
Smile Cc1sc[n+](CC(=O)c2ccccc2)c1C.[Cl-]
InChI
InChI=1S/C13H14NOS.ClH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14ClNOS
Molecular Weight 267.78
AlogP 2.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 20.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Cardiovascular Diseases 2 D002318 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2107309
FDA SRS 79QS8K2877
PubChem 216306
SureChEMBL SCHEMBL33828
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