Emivirine

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Names

[ CAS No. ]:
149950-60-7

[ Name ]:
Emivirine

[Synonym ]:
I-EBU
1EtOMe6Bz5i-Pr-U
Emivirine
Emivirine [USAN:INN]
[14C]-Emivirine
1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1H,3H)-dione
Coactinon
Mkc 442
1-ethoxymethyl-5-isopropyl-6-benzyluracil
6-benzyl-1-(ethoxymethyl)-5-isopropyl uracil
6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

Chemical & Physical Properties

[ Molecular Formula ]:
C17H22N2O3

[ Molecular Weight ]:
302.37

[ Exact Mass ]:
302.16300

[ PSA ]:
64.09000

[ LogP ]:
2.24480

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV9088750
CHEMICAL NAME :
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-
CAS REGISTRY NUMBER :
149950-60-7
LAST UPDATED :
199603
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H22-N2-O3
MOLECULAR WEIGHT :
302.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 38,2860,1995

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-(acetoxyphenylmethyl)-1-(ethoxymethyl)-5-isopropyluracil
  • 6-benzyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
  • Ethoxychloromethane
  • diethoxymethane
  • Benzaldehyde
  • 1-(ethoxymethyl)-6-(hydroxy(phenyl)methyl)-5-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
  • 4-benzyl-5-isopropyl-2,6-bis((trimethylsilyl)oxy)pyrimidine
  • Ethyl 2-(Methylethyl)-3-Oxo-4-Phenylbutyrate

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 5-{[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}pyridine-2-carboxylic acid
  • rac-2-{[(3R,5R)-5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolan-3-yl]formamido}-3-methoxy-2-methylpropanoic acid
  • (2R)-1-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexanecarbonyl}pyrrolidine-2-carboxylic acid
  • 2-{7-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanoyl]-7-azabicyclo[2.2.1]heptan-1-yl}acetic acid
  • 2-amino-3-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}-3-hydroxypropanoic acid
  • (2S)-2-[3-ethoxy-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]propanoic acid
  • 2-{1-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanoyl]piperidin-3-yl}acetic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(5-methyl-1,3-oxazol-4-yl)methyl]carbamoyl}propanoic acid
  • 3-(5-Formylthiophen-2-yl)prop-2-ynoic acid
  • 2-Fluoro-6-(3-formylphenyl)benzaldehyde
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