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Chemical structure of Nifeviroc

GC61879

Nifeviroc

Also known as (4-nitrophenyl)methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate

Nifeviroc is an orally active CCR5 antagonist

ChemicalCAS934740-33-7MW590.71FormulaC33H42N4O6
CAS number
934740-33-7
Molecular weight
590.71
Formula
C33H42N4O6
Solubility
DMSO ： 95 mg/mL (160·82 mM; Need ultrasonic); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
JNSKQYZFEVKYDB-UVMMSNCQSA-N
Catalogue number
GC61879
Brand
GLPBIO
Computed properties PubChem CID 16663418 · XLogP 4.4 · TPSA 119 Ų · H-bond donors 1
XLogP
4.4
TPSA
119 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
43

SMILES C=CCN(C1CCN(CC1)C[C@H]2CN(C[C@@]2(C3=CC=CC=C3)O)C(=O)C4CCCC4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Computed descriptors from PubChem (CID 16663418), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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