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Nifeviroc

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Category Human immunodeficiency Virus (HIV)
CAS 934740-33-7
Description Nifeviroc is a CCR5 antagonist that can be used to treat HIV type 1 infection.
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Product Information

Synonyms 4-Nitrobenzyl Allyl(1-(((3S,4R)-1-(Cyclopentanecarbonyl)-4-Hydroxy-4-Phenylpyrrolidin-3-Yl)Methyl)Piperidin-4-Yl)Carbamate
IUPAC Name (4-nitrophenyl)methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular Weight 590.7
Molecular Formula C33H42N4O6
Canonical SMILES C=CCN(C1CCN(CC1)CC2CN(CC2(C3=CC=CC=C3)O)C(=O)C4CCCC4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI InChI=1S/C33H42N4O6/c1-2-18-36(32(39)43-23-25-12-14-30(15-13-25)37(41)42)29-16-19-34(20-17-29)21-28-22-35(31(38)26-8-6-7-9-26)24-33(28,40)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,40H,1,6-9,16-24H2/t28-,33-/m0/s1
InChIKey JNSKQYZFEVKYDB-UVMMSNCQSA-N
Boiling Point 761.1±60.0 °C(Predicted)
Flash Point 414.1±32.9 °C
Purity ≥98% by HPLC
Density 1.28±0.1 g/cm3(Predicted)
Solubility Soluble in DMSO
Appearance Off-white to yellow (Solid)
Storage Store at -20°C
Complexity 961
Exact Mass 590.31043507
Index Of Refraction 1.631
Target CCR; HIV
Vapor Pressure 0.0±2.7 mmHg at 25°C
XLogP3-AA 4.4

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