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| IUPAC Name: | (3R)-3-(17-carboxyheptadecanoyloxy)-4-(trimethylazaniumyl)butanoate |
| Description: | Octadecanedioic Acid Mono-L-carnitine Ester Chloride is one of the acycarnitines used determine baseline metabolomic profiles to predict cardiovascular events in patients at risk for coronary artery disease. |
| Molecular Weight: | 494.1 |
| Molecular Formula: | C25H48ClNO6 |
| Canonical SMILES: | C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCCCC(=O)O |
| InChI: | InChI=1S/C25H47NO6/c1-26(2,3)21-22(20-24(29)30)32-25(31)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23(27)28/h22H,4-21H2,1-3H3,(H-,27,28,29,30)/t22-/m1/s1 |
| InChI Key: | ULCCGBCYWCYNIC-JOCHJYFZSA-N |
| Melting Point: | 144-145°C |
| Solubility: | Acetonitrile (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Hygroscopic |
| References: | Shah, S.H., et. al. Am. Heart J., 163, 844 (2012). |
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