N-[4-(4-Fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)benzeneacetamide
[CAS# 929046-33-3]

Identification

• Name: N-[4-(4-Fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)benzeneacetamide
• Synonyms: BAY-3427080; Elinzanetant; NT-814; NT814
• Molecular Formula: C₃₃H₃₅F₇N₄O₃
• Molecular Weight: 668.64
• CAS Registry Number: 929046-33-3
• EC Number: 629-865-8
• SMILES: N(C(C(C)(C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O)(C)C=2C(=CC(=NC2)N3[C@H](CO)CN4[C@@](C3)(COCC4)[H])C5=C(C)C=C(F)C=C5

Properties

• Solubility: Very slightly soluble (0.12 g/L g/L) (25 ºC), Calc.^*
• pKa: 14.57+/-$0.10 (Most acidic 25 ºC), Calc.^*
• Density: 1.40±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 672.1±55.0 ºC (760 Torr), Calc.^*
• Flash point: 360.3±31.5 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07
• Hazard Statements: H302
• Precautionary Statements: P264-P270-P301+P317-P330-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302