Methylglucamine Orotate
[CAS# 59404-17-0]

Identification

• Name: Methylglucamine Orotate
• Synonyms: 2,6-Diketo-3H-Pyrimidine-4-Carboxylic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 1-Deoxy-1-(Methylamino)-D-Glucitol 1,2,3,6-Tetrahydro-2,6-Dioxo-4-Pyrimidinecarboxylate (Salt); D-Glucitol, 1-Deoxy-1-(Methylamino)-, 1,2,3,6-Tetrahydro-2,6-Dioxo-4-Pyrimidinecarboxylate (Salt)
• Molecular Formula: C₁₂H₂₁N₃O₉
• Molecular Weight: 351.31
• CAS Registry Number: 59404-17-0
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.O=C1NC(=CC(=O)N1)C(=O)O
• InChI: 1S/C7H17NO5.C5H4N2O4/c1-8-2-4(10)6(12)7(13)5(11)3-9;8-3-1-2(4(9)10)6-5(11)7-3/h4-13H,2-3H2,1H3;1H,(H,9,10)(H2,6,7,8,11)/t4-,5+,6+,7+;/m0./s1
• InChIKey: QXWPJYVLNHANJZ-LJTMIZJLSA-N

Properties

• Boiling point: 490.4°C at 760 mmHg (Cal.)
• Flash point: 251.6°C (Cal.)