Pyridoxyl-4-procain dihydrochlorid [German]

diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride

CAS: 73713-65-2

Molecular Formula	`C21H31Cl2N3O4`
Molecular Weight	460.4 g/mol
Topological Polar Surface Area	97.4 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	459.16916
Heavy Atoms	30
Complexity	453.0

Chemical Identifiers

CAS Number	73713-65-2
SMILES	`CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=[NH+]C=C2CO)C)O.[Cl-].[Cl-]`
InChIKey	`XKHPSMULWQNEEO-UHFFFAOYSA-N`

📖 Product Overview

Pyridoxyl-4-procain dihydrochlorid [German] (CAS: 73713-65-2) is a chemical compound with molecular formula C21H31Cl2N3O4 and molecular weight 460.4 g/mol. Its IUPAC systematic name is diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride. Topological Polar Surface Area 97.4 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 11 Exact Mass 459.16916 Heavy Atoms 30 Complexity 453.0 InChI Key: XKHPSMULWQNEEO-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NCC2=C(C(=[NH+]C=C2CO)C)O.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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