RILPIVIRINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 212WAX8KDD
EPA CompTox DTXSID80220320
Parent Compound: RILPIVIRINE

Structure

InChI Key KZVVGZKAVZUACK-BJILWQEISA-N
Smiles Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.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+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19ClN6
Molecular Weight 402.89
AlogP 4.99
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 97.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 reverse transcriptase inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEBI 68602
ChEMBL CHEMBL1628504
FDA SRS 212WAX8KDD
PubChem 11711114
SureChEMBL SCHEMBL1831067
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