4-{(3R,4R)-3-[4-(4-Chlorobenzoyl)-1-piperazinyl]-4-hydroxy-1-pyrrolidinyl}-2-(trifluoromethyl)-6-quinazolinecarboxylic acid
[CAS# 897445-12-4]

Identification

• Name: 4-{(3R,4R)-3-[4-(4-Chlorobenzoyl)-1-piperazinyl]-4-hydroxy-1-pyrrolidinyl}-2-(trifluoromethyl)-6-quinazolinecarboxylic acid
• Synonyms: 4-{(3R,4R)-3-[4-(4-Chloro-benzoyl)-piperazin-1-yl]-4-hydroxy-pyrrolidin-1-yl}-2-trifluoromethyl-quinazoline-6-carboxylic acid; 6-Quinazolinecarboxylic acid, 4-[(3R,4R)-3-[4-(4-chlorobenzoyl)-1-piperazinyl]-4-hydroxy-1-pyrrolidinyl]-2-(trifluoromethyl)-, rel-
• Molecular Formula: C₂₅H₂₃ClF₃N₅O₄
• Molecular Weight: 549.93
• CAS Registry Number: 897445-12-4
• SMILES: C1CN(CCN1[C@@H]2CN(C[C@H]2O)C3=NC(=NC4=C3C=C(C=C4)C(=O)O)C(F)(F)F)C(=O)C5=CC=C(C=C5)Cl
• InChI: 1S/C25H23ClF3N5O4/c26-16-4-1-14(2-5-16)22(36)33-9-7-32(8-10-33)19-12-34(13-20(19)35)21-17-11-15(23(37)38)3-6-18(17)30-24(31-21)25(27,28)29/h1-6,11,19-20,35H,7-10,12-13H2,(H,37,38)/t19-,20-/m1/s1
• InChIKey: DYUDRUCLPATQTA-WOJBJXKFSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 587.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 308.8±30.1°C (Cal.)
• Refractive index: 1.658 (Cal.)