Name: Etravirine D4
Rating: 5 (10 reviews)

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HIT ID:HIT212670787
Cas No:1142095-93-9
常用名:Etravirine D4
别名:依曲韦林 D4, TMC-125 D4, R-165335 D4
IUPAC:4-{[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}(2H4)benzonitrile
IUPAC:4-{[4-amino-5-bromo-6-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}(2H4)benzonitrile
InChI key:PYGWGZALEOIKDF-LNFUJOGGSA-N

分子式:C20H15BrN6O
分子量:439.309
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:5.5365114
SMILES:[2H]c1c([2H])c(C#N)c([2H])c([2H])c1Nc1nc(N)c(Br)c(Oc2c(C)cc(cc2C)C#N)n1
SMILES:[2H]c1c([2H])c(C#N)c([2H])c([2H])c1Nc1nc(N)c(Br)c(Oc2c(C)cc(cc2C)C#N)n1

Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used for the treatment of HIV. Etravirine D4 is the deuterium labeled Etravirine.

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