Hexobendine dihydrochloride

3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride

CAS: 50-62-4

Molecular Formula	`C30H46Cl2N2O10`
Molecular Weight	665.6 g/mol
Topological Polar Surface Area	114.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	21
Exact Mass	664.2529
Heavy Atoms	44
Complexity	684.0

Chemical Identifiers

CAS Number	50-62-4
SMILES	`CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl`
InChIKey	`GIOKUMNZQFCEPI-UHFFFAOYSA-N`

📖 Product Overview

Hexobendine dihydrochloride (CAS: 50-62-4) is a chemical compound with molecular formula C30H46Cl2N2O10 and molecular weight 665.6 g/mol. Its IUPAC systematic name is 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride. Topological Polar Surface Area 114.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 12 Rotatable Bonds 21 Exact Mass 664.2529 Heavy Atoms 44 Complexity 684.0 InChI Key: GIOKUMNZQFCEPI-UHFFFAOYSA-N. SMILES: CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl.

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