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Chemical structure of Rilpivirine Hydrochloride

GC25867

Rilpivirine Hydrochloride

Also known as 4-[[4-[4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile;hydrochloride

Rilpivirine (TMC278), is a second-generation non-nucleoside reverse transcriptase inhibitor (NNRTI) with higher potency, longer half-life and reduced side-effect profile compared with older NNRTIs, such as efavirenz

ChemicalCAS700361-47-3MW402.88FormulaC22H18N6·ClH
CAS number
700361-47-3
Molecular weight
402.88
Formula
C22H18N6·ClH
Solubility
DMSO ： 125 mg/mL (310·27 mM; Need ultrasonic)
InChIKey
KZVVGZKAVZUACK-BJILWQEISA-N
Catalogue number
GC25867
Brand
GLPBIO
Computed properties PubChem CID 11711114 · TPSA 97.4 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
97.4 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29

SMILES CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N.Cl

Computed descriptors from PubChem (CID 11711114), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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