Isometheptene
[CAS# 503-01-5]

Identification

• Classification: API >> Digestive system medication >> Gastrointestinal expectorant
• Name: Isometheptene
• Synonyms: 1,5-Dimethylhex-4-Enyl-Methyl-Amine; Tartaric Acid; (R-(R*,R*))-Methyl(1,5-Dimethylhex-4-Enyl)Ammonium Hydrogen Tartrate; 2-Methylamino-Iso-Octene Bitartrate
• Molecular Formula: C₁₃H₂₅NO₆
• Molecular Weight: 291.34
• CAS Registry Number: 503-01-5
• EINECS: 207-959-6
• SMILES: [C@@H](O)([C@@H](O)C(=O)O)C(=O)O.C(C(NC)C)CC=C(C)C
• InChI: 1S/C9H19N.C4H6O6/c1-8(2)6-5-7-9(3)10-4;5-1(3(7)8)2(6)4(9)10/h6,9-10H,5,7H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
• InChIKey: HLRDXBKIKFQOFS-LREBCSMRSA-N

Properties

• Boiling point: 177.5°C at 760 mmHg (Cal.)
• Flash point: 46.4°C (Cal.)