Basic information
- CAS
73713-65-2- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(NCc2c(CO)c[nH+]c(C)c2O)cc1.[Cl-].[Cl-]- InChIKey
XKHPSMULWQNEEO-UHFFFAOYSA-N- Molecular formula
- C21H31Cl2N3O4
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 459.1691619
Names & identifiers
- Preferred name
- Benzoic acid, p-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridylmethyl)amino-, 2-diethylaminoethyl ester, dihydrochloride
- IUPAC
- diethyl-[2-[4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylamino]benzoyl]oxyethyl]azanium dichloride
Names & synonyms
Pyridoxyl-4-procain dihydrochlorid [German]Pyridoxyl-4-procain dihydrochloridBenzoic acid, p-(3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridylmethyl)amino-, 2-diethylaminoethyl ester, dihydrochloride73713-65-2RefChem:327831
Database identifiers
- CAS
73713-65-2- PubChem CID
- 52268
Properties
Computed structural properties
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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