ChemicalBook--->CAS DataBase List--->149950-60-7

149950-60-7

149950-60-7 Structure

149950-60-7 Structure
IdentificationBack Directory
[Name]

emivirine
[CAS]

149950-60-7
[Synonyms]

MKC 442
DRG0302
DRG-0302
DRG 0302
emivirine
6-benzyl-1-(ethoxymethyl)-5-isopropyluracil
1-(Ethoxymethyl)-6-benzyl-5-isopropyluracil
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-
[Molecular Formula]

C17H22N2O3
[MDL Number]

MFCD00922636
[MOL File]

149950-60-7.mol
[Molecular Weight]

302.37
Chemical PropertiesBack Directory
[Melting point ]

109.1-110.7 °C(Solv: ethanol (64-17-5); water (7732-18-5))
[density ]

1.133±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[form ]

Solid
[pka]

9.46±0.40(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
[InChIKey]

MLILORUFDVLTSP-UHFFFAOYSA-N
[SMILES]

C1(=O)N(COCC)C(CC2=CC=CC=C2)=C(C(C)C)C(=O)N1
Hazard InformationBack Directory
[Uses]

Treatment of HIV-1 infections (non-nucleoside reverse transcriptase inhibitor).
[Definition]

ChEBI: A pyrimidone that is uracil which is substituted at positions 1, 5 and 6 by ethoxymethyl, isopropyl, and benzyl groups, respectively. A non-nucleoside inhibitor of HIV-1 reverse transcriptase, emivirine was an unsuccessful experimental agent for the treatm nt of HIV.
[Brand name]

Coactinon (Mitsubishi Chemical Corporation, Japan).
[Hazard]

Moderately toxic by ingestion.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Safety Profile]

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Spectrum DetailBack Directory
[Spectrum Detail]

emivirine(149950-60-7)1HNMR
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