Gastro-caine structure

Gastro-caine

Also Known As: Gastro-caine|Gastrocaine gel|Gastrocaine|aluminum; magnesium; 2-(2-diethylaminoethyloxy)ethyl 3-amino-4-butoxybenzoate; 3-hydroxy-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]propanoic acid; oxygen(2-); silicon; sulfuric acid; trihydroxide; hydrochloride|Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester endo-(+-)-, (E,E)-

CAS: 99232-07-2
Molecular Formula C36H61AlClMgN3O15SSi
Molecular Weight 921.2947 g/mol
LogP 3.1276
Topological Polar Surface Area 327.89 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 14
Rotatable Bonds 17
Exact Mass 921.2947
Monoisotopic Mass 921.2947
Heavy Atoms 59
Complexity 1470.8623

Chemical Identifiers

CAS Number 99232-07-2
SMILES CCCCOC1=C(C=C(C=C1)C(=O)OCCOCCN(CC)CC)N.CN1C2CCC1CC(C2)C3=CC(=CC=C3)C(CO)C(=O)O.[OH-].[OH-].[OH-].[O-2].OS(=O)(=O)O.[Mg+2].[Al+3].[Si].Cl

Product Overview

Gastro-caine (CAS 99232-07-2), with molecular formula C36H61AlClMgN3O15SSi and molecular weight 921.2947 g/mol.

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