Neltenexine
[CAS# 99453-84-6]

Identification

• Name: Neltenexine
• Synonyms: N-[2,4-Dibromo-6-[[(4-Hydroxycyclohexyl)Amino]Methyl]Phenyl]-2-Thiophenecarboxamide; 4',6'-Dibromo-Alpha-((Trans-4-Hydroxycyclohexyl)Amino)-2-Thiophene-Carboxy-O-Toluidide; Neltenexine
• Molecular Formula: C₁₈H₂₀Br₂N₂O₂S
• Molecular Weight: 488.24
• CAS Registry Number: 99453-84-6
• SMILES: C1=C(Br)C=C(C(=C1CNC2CCC(O)CC2)NC(C3=CC=CS3)=O)Br
• InChI: 1S/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)
• InChIKey: SSLHKNBKUBAHJY-UHFFFAOYSA-N

Properties

• Density: 1.693g/cm³ (Cal.)
• Boiling point: 515.457°C at 760 mmHg (Cal.)
• Flash point: 265.539°C (Cal.)