Structure

InChI Key NPUKDXXFDDZOKR-LLVKDONJSA-N
Smile CCOC(=O)c1cncn1[C@H](C)c1ccccc1
InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16N2O2
Molecular Weight 244.29
AlogP 2.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 44.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR GABA-A receptor; anion channel positive modulator PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.58
Nervous system disorders
15.08
Cardiac disorders
11.06
Metabolism and nutrition disorders
9.55
Endocrine disorders
7.54
Injury, poisoning and procedural complications
7.54
Eye disorders
4.52
Psychiatric disorders
4.02
Vascular disorders
3.52
Immune system disorders
3.02
Investigations
3.02
Musculoskeletal and connective tissue disorders
2.51
Pregnancy, puerperium and perinatal conditions
2.51
Respiratory, thoracic and mediastinal disorders
2.51
Gastrointestinal disorders
2.01

Cross References

Resources Reference
CAS NUMBER 33125-97-2
ChEBI 4910
ChEMBL CHEMBL681
DrugBank DB00292
DrugCentral 1109
FDA SRS Z22628B598
Human Metabolome Database HMDB0014437
Guide to Pharmacology 5463
KEGG C07522
PDB V8D
PubChem 667484
SureChEMBL SCHEMBL39487
ZINC ZINC000000001408