Midol
[CAS# 83514-22-1]

Identification

• Name: Midol
• Synonyms: 2-Acetoxybenzoic Acid; 2-(Cinnamyl-Methyl-Amino)-1-Phenyl-Propan-1-Ol; N-(4-Ethoxyphenyl)Acetamide; 1,3,7-Trimethylpurine-2,6-Dione; Hydrochloride; 2-Acetoxybenzoic Acid
• Molecular Formula: C₄₆H₅₅ClN₆O₉
• Molecular Weight: 871.43
• CAS Registry Number: 83514-22-1
• SMILES: N(C1=CC=C(OCC)C=C1)C(=O)C.C3=C(C(O)C(N(C\C=C\C2=CC=CC=C2)C)C)C=CC=C3.C4=NC5=C([N]4C)C(=O)N(C(=O)N5C)C.[Cl-].O=C(O)C6=CC=CC=C6OC(=O)C
• InChI: 1S/C19H23NO.C10H13NO2.C9H8O4.C8H10N4O2.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;1-3-13-10-6-4-9(5-7-10)11-8(2)12;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h3-14,16,19,21H,15H2,1-2H3;4-7H,3H2,1-2H3,(H,11,12);2-5H,1H3,(H,11,12);4H,1-3H3;1H/b12-9+
• InChIKey: GXVYKGFDXIZMAF-CAKSNXNRSA-N