BENZOCAINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C05AD03
UNII: U3RSY48JW5

Structure
InChI Key BLFLLBZGZJTVJG-UHFFFAOYSA-N
Smile CCOC(=O)c1ccc(N)cc1
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11NO2
Molecular Weight 165.19
AlogP 1.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 0-5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Toothache 4 D014098 ClinicalTrials
Otitis Media 3 D010033 ClinicalTrials
Eczema 3 D004485 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Obesity 1 D009765 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 94-09-7
ChEBI 116735
ChEMBL CHEMBL278172
DrugBank DB01086
DrugCentral 323
EPA CompTox DTXSID8021804
FDA SRS U3RSY48JW5
Human Metabolome Database HMDB0004992
KEGG C07527
PharmGKB PA448576
PubChem 2337
SureChEMBL SCHEMBL25100
ZINC ZINC000012358719
CONTENTS