Structure

InChI Key PHIQHXFUZVPYII-UHFFFAOYSA-N
Smile C[N+](C)(C)CC(O)CC(=O)[O-]
InChI
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15NO3
Molecular Weight 161.2
AlogP -1.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 60.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Intermittent Claudication 3 D007383 ClinicalTrials
Colitis, Ulcerative 3 D003093 ClinicalTrials
Postpoliomyelitis Syndrome 3 D016262 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Supranuclear Palsy, Progressive 1 D013494 ClinicalTrials
Endocardial Cushion Defects 1 D004694 ClinicalTrials
Heart Septal Defects, Ventricular 1 D006345 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
ChEBI 17126
ChEMBL CHEMBL172513
EPA CompTox DTXSID3022744
FDA SRS S7UI8SM58A
PubChem 288
SureChEMBL SCHEMBL21971