Chloroparidocaine methanesulfonate structure

Chloroparidocaine methanesulfonate

methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)-2-chlorobenzoate

CAS: 5066-49-9
Molecular Formula C18H29ClN2O5S
Molecular Weight 421.0 g/mol
Topological Polar Surface Area 108.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 420.14856
Heavy Atoms 27
Complexity 425.0

Chemical Identifiers

CAS Number 5066-49-9
SMILES CCCCNC1=CC(=C(C=C1)C(=O)OC2CC[NH+](CC2)C)Cl.CS(=O)(=O)[O-]
InChIKey HOEMGXDLQQOUJN-UHFFFAOYSA-N

📖 Product Overview

Chloroparidocaine methanesulfonate (CAS: 5066-49-9) is a chemical compound with molecular formula C18H29ClN2O5S and molecular weight 421.0 g/mol. Its IUPAC systematic name is methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)-2-chlorobenzoate. Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 420.14856 Heavy Atoms 27 Complexity 425.0 InChI Key: HOEMGXDLQQOUJN-UHFFFAOYSA-N. SMILES: CCCCNC1=CC(=C(C=C1)C(=O)OC2CC[NH+](CC2)C)Cl.CS(=O)(=O)[O-].

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