(2S,4R)-5,7-Dichloro-4-(Phenylcarbamoylamino)-1,2,3,4-Tetrahydroquinoline-2-Carboxylic Acid
[CAS# 139051-78-8]

Identification

• Name: (2S,4R)-5,7-Dichloro-4-(Phenylcarbamoylamino)-1,2,3,4-Tetrahydroquinoline-2-Carboxylic Acid
• Synonyms: (2S,4R)-5,7-Dichloro-4-[[Oxo-(Phenylamino)Methyl]Amino]-1,2,3,4-Tetrahydroquinoline-2-Carboxylic Acid; L 689560; L-689,560
• Molecular Formula: C₁₇H₁₅Cl₂N₃O₃
• Molecular Weight: 380.23
• CAS Registry Number: 139051-78-8
• SMILES: [C@H]2(NC(=O)NC1=CC=CC=C1)C3=C(N[C@@H](C2)C(=O)O)C=C(Cl)C=C3Cl
• InChI: 1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m1/s1
• InChIKey: UCKHICKHGAOGAP-KGLIPLIRSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 549.149°C at 760 mmHg (Cal.)
• Flash point: 285.915°C (Cal.)