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Benzocaine

CAT: 0804-HY-Y0258-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0258-02Size:10 mM - 1 mL
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Description
Benzocaine shares a common receptor with all othe rLAs in the voltage-gated Na+ channel, with an IC50 of 0.8 mM tested with a potential of +30 mV.
CAS Number
94-09-7
UNSPSC
12352005
Hazard Statement
H317, H402
Target
Bacterial; Sodium Channel
Type
Reference compound
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Benzocaine.html
Purity
99.98
Solubility
DMSO : ≥ 100 mg/mL|H2O : 2 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(OCC)C1=CC=C(N)C=C1
Molecular Formula
C9H11NO2
Molecular Weight
165.19
Precautions
H317, H402
References & Citations
[1]Wang GK et al. A common local anesthetic receptor for benzocaine and etidocaine in voltage-gated mu1 Na+ channels. Pflugers Arch. 1998 Jan;435 (2) :293-302.|[2]Di Croce D et al. Drug action of benzocaine on the sarcoplasmic reticulum Ca-ATPase from fast-twitch skeletal muscle. Naunyn Schmiedebergs Arch Pharmacol. 2015 Nov;388 (11) :1163-70.|[3]Davis JA, et al. Benzocaine-induced methemoglobinemia attributed to topical application of the anesthetic in several laboratory animal species. Am J Vet Res. 1993 Aug;54 (8) :1322-6.
Shipping Conditions
Room Temperature
Storage Conditions
RT, protect from light
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Benzocaine

Benzocaine is a benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. It has a role as a sensitiser, a topical anaesthetic, an allergen and an antipruritic drug. It is a benzoate ester and a substituted aniline.

CAS Number94-09-7
PubChem CID2337
IUPAC Nameethyl 4-aminobenzoate
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.9
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
InChIKey
BLFLLBZGZJTVJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzocaine
CAS: 94-09-7
CID: 2337
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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