Structure

InChI Key AJXPJJZHWIXJCJ-UHFFFAOYSA-N
Smile CN1C(=O)CC(C)(c2ccccc2)C1=O
InChI
InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13NO2
Molecular Weight 203.24
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 37.38
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated T-type calcium channel blocker PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
20.09
Nervous system disorders
18.34
General disorders and administration site conditions
17.9
Injury, poisoning and procedural complications
6.11
Musculoskeletal and connective tissue disorders
6.11
Product issues
5.68
Cardiac disorders
4.37
Gastrointestinal disorders
4.37
Respiratory, thoracic and mediastinal disorders
3.06
Metabolism and nutrition disorders
2.62
Skin and subcutaneous tissue disorders
2.62
Immune system disorders
2.18
Investigations
2.18
Vascular disorders
2.18

Cross References

Resources Reference
CAS NUMBER 77-41-8
ChEBI 6846
ChEMBL CHEMBL697
DrugBank DB05246
DrugCentral 1758
EPA CompTox DTXSID5023293
FDA SRS 0G76K8X6C0
Human Metabolome Database HMDB0015611
Guide to Pharmacology 7228
PharmGKB PA164743145
PubChem 6476
SureChEMBL SCHEMBL34852