4-{[({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)sulfonyl]amino}butanoic acid
[CAS# 603137-41-3]

Identification

• Name: 4-{[({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)sulfonyl]amino}butanoic acid
• Synonyms: Almotriptan Metabolite M2
• Molecular Formula: C₁₇H₂₅N₃O₄S
• Molecular Weight: 367.46
• CAS Registry Number: 603137-41-3
• SMILES: CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NCCCC(=O)O
• InChI: 1S/C17H25N3O4S/c1-20(2)9-7-14-11-18-16-6-5-13(10-15(14)16)12-25(23,24)19-8-3-4-17(21)22/h5-6,10-11,18-19H,3-4,7-9,12H2,1-2H3,(H,21,22)
• InChIKey: KEZMLSBXUODFOL-UHFFFAOYSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 627.869°C at 760 mmHg (Cal.)
• Flash point: 333.524°C (Cal.)
• Refractive index: 1.611 (Cal.)