ETHOTOIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N03AB01
UNII: 46QG38NC4U

Structure
InChI Key SZQIFWWUIBRPBZ-UHFFFAOYSA-N
Smile CCN1C(=O)NC(c2ccccc2)C1=O
InChI
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O2
Molecular Weight 204.23
AlogP 1.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.41
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker PubMed PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
14.29
Injury, poisoning and procedural complications
11.43
Nervous system disorders
11.43
Psychiatric disorders
11.43
Vascular disorders
11.43
Product issues
11.43
Cardiac disorders
5.71
Investigations
5.71
Endocrine disorders
2.86
Gastrointestinal disorders
2.86
Immune system disorders
2.86
Metabolism and nutrition disorders
2.86
Respiratory, thoracic and mediastinal disorders
2.86
Surgical and medical procedures
2.86

Cross References

Resources Reference
CAS NUMBER 86-35-1
ChEBI 4888
ChEMBL CHEMBL1095
DrugBank DB00754
DrugCentral 1088
EPA CompTox DTXSID6023020
FDA SRS 46QG38NC4U
Human Metabolome Database HMDB0014892
Guide to Pharmacology 7183
KEGG C07839
PharmGKB PA164768735
PubChem 3292
SureChEMBL SCHEMBL34301
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