Metyrapone
[CAS# 908-35-0]

Identification

• Name: Metyrapone
• Synonyms: (3R)-2,3-Dihydroxybutanedioic Acid; 2-Methyl-1,2-Bis(3-Pyridyl)Propan-1-One; 2-Methyl-1,2-Bis(3-Pyridyl)Propan-1-One; Tartaric Acid; Su 4885
• Molecular Formula: C₁₈H₂₀N₂O₇
• Molecular Weight: 376.37
• CAS Registry Number: 908-35-0
• SMILES: [C@@H](O)(C(O)C(=O)O)C(=O)O.C2=C(C(C(=O)C1=CC=CN=C1)(C)C)C=CC=N2
• InChI: 1S/C14H14N2O.C4H6O6/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11;5-1(3(7)8)2(6)4(9)10/h3-10H,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2?/m.1/s1
• InChIKey: LHWDMZWPKSLALX-VPDQHXPOSA-N

Properties

• Boiling point: 384.4°C at 760 mmHg (Cal.)
• Flash point: 189.3°C (Cal.)