Structure

InChI Key XADCESSVHJOZHK-UHFFFAOYSA-N
Smile CCOC(=O)C1(c2ccccc2)CCN(C)CC1
InChI
InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21NO2
Molecular Weight 247.34
AlogP 2.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sciatica 3 D012585 ClinicalTrials
Ischemic Stroke 3 D000083242 ClinicalTrials
Scoliosis 2 D012600 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 57-42-1
ChEBI 6754
ChEMBL CHEMBL607
DrugBank DB00454
DrugCentral 1690
EPA CompTox DTXSID9023253
FDA SRS 9E338QE28F
Human Metabolome Database HMDB0014597
Guide to Pharmacology 7221
KEGG C07128
PharmGKB PA450369
PubChem 4058
SureChEMBL SCHEMBL25431
ZINC ZINC000000001681