ARTICAINE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01BB08
UNII: D3SQ406G9X

Structure
InChI Key QTGIAADRBBLJGA-UHFFFAOYSA-N
Smile CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
InChI
InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O3S
Molecular Weight 284.38
AlogP 2.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 67.43
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
- 51000 - - 17-62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulpitis 3 D011671 ClinicalTrials
Periodontitis 2 D010518 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Renal Insufficiency 0 D051437 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 23964-58-1
ChEBI 91834
ChEMBL CHEMBL1093
DrugBank DB09009
DrugCentral 3070
EPA CompTox DTXSID7048536
FDA SRS D3SQ406G9X
PubChem 32170
SureChEMBL SCHEMBL26715
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