Gastro-Caine
[CAS# 99232-07-2]

Identification

• Name: Gastro-Caine
• Synonyms: Aluminum; Magnesium; 2-(2-Diethylaminoethoxy)Ethyl 3-Amino-4-Butoxy-Benzoate; 3-Hydroxy-2-[3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)Phenyl]Propanoic Acid; Oxygen(-2) Anion; Silicon
• Molecular Formula: C₃₆H₆₁AlClMgN₃O₁₅SSi
• Molecular Weight: 922.77
• CAS Registry Number: 99232-07-2
• SMILES: [Si].[Al+3].[Mg++].O(CCN(CC)CC)CCOC(=O)C1=CC(=C(OCCCC)C=C1)N.[OH-].[OH-].[O--].N2(C3CC(CC2CC3)C4=CC(=CC=C4)C(CO)C(O)=O)C.[H+].O=[S](O)(O)=O.[Cl-].[OH-]
• InChI: 1S/C19H32N2O4.C17H23NO3.Al.ClH.Mg.H2O4S.3H2O.O.Si/c1-4-7-11-24-18-9-8-16(15-17(18)20)19(22)25-14-13-23-12-10-21(5-2)6-3;1-18-14-5-6-15(18)9-13(8-14)11-3-2-4-12(7-11)16(10-19)17(20)21;;;;1-5(2,3)4;;;;;/h8-9,15H,4-7,10-14,20H2,1-3H3;2-4,7,13-16,19H,5-6,8-10
• InChIKey: KNTPQIAPKCWTAR-UHFFFAOYSA-K

Properties

• Boiling point: 472.1°C at 760 mmHg (Cal.)
• Flash point: 239.3°C (Cal.)