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Rilpivirine HCl

CAT: 0013-GTR19200866-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200866-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rilpivirine hydrochloride is a potent and selective non-nucleoside reverse transcriptase inhibitor (NNRTI) used in HIV research. It exhibits antiviral activity by inhibiting HIV-1 reverse transcriptase and is applied in both in vitro antiviral assays and in vivo studies of combination antiretroviral therapies.
CAS Number
700361-47-3
Product Name Alternative
Rilpivirine, Rilpivirine HCl, Rilpivirine hydrochloride, SARS-CoV, SARSCoV, TMC-278 hydrochloride, TMC278 hydrochloride, TMC278, TMC-278, TMC 278. trade name Edurant, TMC 278, MMP, AQUIPTA
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.48% (May vary between batches)
Solubility
DMSO:100 mg/mL (248.21 mM)
Smiles
N (C1=C (C) C=C (/C=C/C#N) C=C1C) C2=NC (NC3=CC=C (C#N) C=C3) =NC=C2.Cl
Molecular Formula
C22H19ClN6
Molecular Weight
402.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rilpivirine Hydrochloride

Rilpivirine hydrochloride is a hydrochloride obtained by reaction of rilpivirine with one equivalent of hydrochloric acid. Used for treatment of HIV. It has a role as a prodrug, a HIV-1 reverse transcriptase inhibitor and an EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor. It contains a rilpivirine(1+).

CAS Number700361-47-3
PubChem CID11711114
IUPAC Name4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydrochloride
Molecular FormulaC22H19ClN6
Molecular Weight402.9
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity607
SMILES
CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N.Cl
InChI
InChI=1S/C22H18N6.ClH/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19;/h3-9,11-13H,1-2H3,(H2,25,26,27,28);1H/b4-3+;
InChIKey
KZVVGZKAVZUACK-BJILWQEISA-N
Chemical Structure
2D Structure
2D structure of Rilpivirine Hydrochloride
CAS: 700361-47-3
CID: 11711114
Formula: C22H19ClN6
MW: 402.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass402.1359723
Monoisotopic Mass402.1359723
Topological Polar Surface Area97.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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