BENOXINATE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AXQ0JYM303

Structure
InChI Key CMHHMUWAYWTMGS-UHFFFAOYSA-N
Smile CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
InChI
InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28N2O3
Molecular Weight 308.42
AlogP 2.95
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 64.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 2900 - - 73

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 309594
ChEMBL CHEMBL1200
DrugBank DB00892
DrugCentral 3016
EPA CompTox DTXSID7048530
FDA SRS AXQ0JYM303
Human Metabolome Database HMDB0015029
Guide to Pharmacology 7123
PharmGKB PA164764617
PubChem 4633
SureChEMBL SCHEMBL25087
ZINC ZINC000002019492
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