Structure

InChI Key JZQKKSLKJUAGIC-UHFFFAOYSA-N
Smile CC(C)NCC(O)COc1cccc2[nH]ccc12
InChI
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N2O2
Molecular Weight 248.33
AlogP 1.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 57.28
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
PARTIAL AGONIST Beta-1 adrenergic receptor partial agonist DailyMed
Primary Target
β1-adrenoceptor
β2-adrenoceptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 2 D003866 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

MCS

Mixture

Side Effects from Label

Side effects Relative Frequency (%) Labels
Cardiac disorders Dizziness 11.0
Nervous system disorders Insomnia
Nervous system disorders Insomnia 10.0
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 10.0
Musculoskeletal and connective tissue disorders Myalgia 10.0
Cardiac disorders Dizziness 9.0
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 9.0
Musculoskeletal and connective tissue disorders Myalgia 9.0
General disorders and administration site conditions Asthenia 8.0
General disorders and administration site conditions Fatigue 8.0
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 8.0
Musculoskeletal and connective tissue disorders Myalgia
Musculoskeletal and connective tissue disorders Myalgia 8.0
Musculoskeletal and connective tissue disorders Arthralgia 7.0
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 7.0
Psychiatric disorders Nervousness 7.0
Psychiatric disorders Tension 7.0
Cardiac disorders Dyspnoea
Cardiac disorders Dyspnoea 6.0
General disorders and administration site conditions Oedema 6.0
Nervous system disorders Paraesthesia
Nervous system disorders Paraesthesia 6.0
Gastrointestinal disorders Abdominal discomfort
Gastrointestinal disorders Abdominal discomfort 5.0
Cardiac disorders Dyspnoea 5.0
Gastrointestinal disorders Nausea 5.0
Psychiatric disorders Nervousness
Psychiatric disorders Nervousness 5.0
Psychiatric disorders Tension
Psychiatric disorders Tension 5.0
Gastrointestinal disorders Abdominal discomfort 4.0
Musculoskeletal and connective tissue disorders Arthralgia
Musculoskeletal and connective tissue disorders Arthralgia 4.0
General disorders and administration site conditions Asthenia
General disorders and administration site conditions Asthenia 4.0
Cardiac disorders Dyspnoea 4.0
General disorders and administration site conditions Fatigue
General disorders and administration site conditions Fatigue 4.0
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 4.0
Cardiac disorders Chest pain
Cardiac disorders Chest pain 3.0
Nervous system disorders Insomnia 3.0
Musculoskeletal and connective tissue disorders Muscle spasms 3.0
Psychiatric disorders Nervousness 3.0
General disorders and administration site conditions Oedema 3.0
Nervous system disorders Paraesthesia 3.0
Psychiatric disorders Tension 3.0
General disorders and administration site conditions Asthenia 2.0
Gastrointestinal disorders Nausea 2.0
General disorders and administration site conditions Asthenia
General disorders and administration site conditions Asthenia 1.0
Cardiac disorders Cardiac failure 1.0
Cardiac disorders Chest pain 1.0
Skin and subcutaneous tissue disorders Dermatitis
Skin and subcutaneous tissue disorders Dermatitis 1.0
Cardiac disorders Dizziness
Cardiac disorders Dizziness 1.0
Psychiatric disorders Hallucination 1.0
Musculoskeletal and connective tissue disorders Muscle spasms 1.0
Gastrointestinal disorders Nausea
Gastrointestinal disorders Nausea 1.0
General disorders and administration site conditions Oedema
General disorders and administration site conditions Oedema 1.0
Cardiac disorders Palpitations 1.0
Nervous system disorders Paraesthesia 1.0
Skin and subcutaneous tissue disorders Pruritus 1.0
Skin and subcutaneous tissue disorders Rash
Skin and subcutaneous tissue disorders Rash 1.0

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
22.22
General disorders and administration site conditions
16.67
Investigations
11.11
Respiratory, thoracic and mediastinal disorders
8.33
Product issues
8.33
Gastrointestinal disorders
5.56
Infections and infestations
5.56
Musculoskeletal and connective tissue disorders
5.56
Skin and subcutaneous tissue disorders
5.56
Injury, poisoning and procedural complications
2.78
Nervous system disorders
2.78
Psychiatric disorders
2.78
Renal and urinary disorders
2.78

Cross References

Resources Reference
CAS NUMBER 13523-86-9
ChEBI 8214
ChEMBL CHEMBL500
DrugBank DB00960
DrugCentral 2176
EPA CompTox DTXSID8023476
FDA SRS BJ4HF6IU1D
Human Metabolome Database HMDB0015095
Guide to Pharmacology 91
KEGG C07445
PharmGKB PA450966
PubChem 4828
SureChEMBL SCHEMBL5219
ZINC ZINC00056646