1-Ethyl-1,3,4,9-tetrahydro-8-methyl-pyrano[3,4-b]indole-1-acetic Acid Ethyl Ester

CAS: 849630-60-0

Ref. TR-E926135

Información del producto

• Nombre: 1-Ethyl-1,3,4,9-tetrahydro-8-methyl-pyrano[3,4-b]indole-1-acetic Acid Ethyl Ester

Descripción

Applications 1-Ethyl-1,3,4,9-tetrahydro-8-methyl-pyrano[3,4-b]indole-1-acetic Acid Ethyl Ester is an intermediate in the synthesis of 8-Methyl Etodolac, an impurity of Etodolac (E933100) which was examined for mutagenicity in reverse mutation tests on bacteria. Etodolac impurity B.
References Franke, L., et al.: J. Med. Chem., 48, 6997 (2005), Fox, T., et al.: Curr. Top Med. Chem., 6, 1579 (2006),

• Marca: TRC

Propiedades químicas

• Peso molecular: 662.591
• Fórmula: C₁₈H₂₃NO₃
• Color/Forma: Off-White Solid
• InChI: InChI=1S/C28H38O18/c1-9-4-16(30)43-12-5-10(2-3-11(9)12)42-28-25(39)22(36)19(33)15(46-28)8-41-27-24(38)21(35)18(32)14(45-27)7-40-26-23(37)20(34)17(31)13(6-29)44-26/h2-5,13-15,17-29,31-39H,6-8H2,1H3/t13?,14?,15?,17-,18-,19-,20?,21?,22?,23?,24?,25?,26+,27+,28+/m0/s1
• Clave InChI: InChIKey=FKYXQNIYOMUPSR-LIUMLVIISA-N
• SMILES: Cc1cc(=O)oc2cc(O[C@@H]3OC(CO[C@@H]4OC(CO[C@@H]5OC(CO)[C@H](O)C(O)C5O)[C@H](O)C(O)C4O)[C@H](O)C(O)C3O)ccc12