HEXYLCAINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 511IU0826Z

Structure
InChI Key DKLKMKYDWHYZTD-UHFFFAOYSA-N
Smile CC(CNC1CCCCC1)OC(=O)c1ccccc1
InChI
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23NO2
Molecular Weight 261.36
AlogP 3.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.33
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 7000 - - 55

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34791
ChEMBL CHEMBL1197
DrugBank DB00473
DrugCentral 1373
EPA CompTox DTXSID1047863
FDA SRS 511IU0826Z
Human Metabolome Database HMDB0014616
Guide to Pharmacology 7196
KEGG C14172
PharmGKB PA164746489
PubChem 10770
SureChEMBL SCHEMBL34238
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