proparacaine   Click here for help

GtoPdb Ligand ID: 7283

Synonyms: Alcaine® | Paracaine® | proparacaine hydrochloride | proxymetacaine hydrochloride
Approved drug
proparacaine is an approved drug (FDA (1953))
Compound class: Synthetic organic
Comment: Proparacaine is a topical anesthetic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 64.79
Molecular weight 294.19
XLogP 2.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC
Isomeric SMILES CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC
InChI InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChI Key KCLANYCVBBTKTO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
IUPAC Name Click here for help
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
International Nonproprietary Names Click here for help
INN number INN
540 proxymetacaine
Synonyms Click here for help
Alcaine® | Paracaine® | proparacaine hydrochloride | proxymetacaine hydrochloride
Database Links Click here for help
CAS Registry No. 499-67-2
ChEMBL Ligand CHEMBL1196
DrugBank Ligand DB00807
DrugCentral Ligand 2294
GtoPdb PubChem SID 178103857
PubChem CID 4935
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Wikipedia Proxymetacaine