1-(beta-Dimethylaminoaethyl)-2-methoxycarbonyl-3-benzyloxy-5-chloro-indol-toluol-4-sulfonate
[CAS# 77965-44-7]

Identification

• Name: 1-(beta-Dimethylaminoaethyl)-2-methoxycarbonyl-3-benzyloxy-5-chloro-indol-toluol-4-sulfonate
• Synonyms: 5-Chloro-1-(2-Dimethylaminoethyl)-3-(Phenylmethoxy)-2-Indolecarboxylic Acid Methyl Ester; 4-Methylbenzenesulfonic Acid; 3-(Benzyloxy)-5-Chloro-1-(2-Dimethylaminoethyl)Indole-2-Carboxylic Acid Methyl Ester; 4-Methylbenzenesulfonic Acid; 1-(Beta-Dimethylaminoaethyl)-2-Methoxycarbonyl-3-Benzyloxy-5-Chlor-Indol-Toluol-4-Sulfonat
• Molecular Formula: C₂₈H₃₁ClN₂O₆S
• Molecular Weight: 559.08
• CAS Registry Number: 77965-44-7
• SMILES: C1=C(Cl)C=CC2=C1C(=C([N]2CCN(C)C)C(OC)=O)OCC3=CC=CC=C3.C4=C([S](=O)(=O)O)C=CC(=C4)C
• InChI: 1S/C21H23ClN2O3.C7H8O3S/c1-23(2)11-12-24-18-10-9-16(22)13-17(18)20(19(24)21(25)26-3)27-14-15-7-5-4-6-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,13H,11-12,14H2,1-3H3;2-5H,1H3,(H,8,9,10)
• InChIKey: XDPARKAYNNETJK-UHFFFAOYSA-N

Properties

• Boiling point: 532°C at 760 mmHg (Cal.)
• Flash point: 275.6°C (Cal.)