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Sacubitril Impurity

Product Name
Sacubitril Impurity
CAS No.
1015037-46-3
Chemical Name
Sacubitril Impurity
Synonyms
impurity 41;Sacubitril Impurity;Sacubitril Impurity CB;Sacubitril Impurity 103;LCZ696 valsartan + sacubitril impurity 41;(S,E)-5-([1,1'-Biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpent-2-enoic acid;(2E,4S)-5-[1,1-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid;(2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid;2-Pentenoic acid, 5-[1,1'-biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2E,4S)-
CBNumber
CB93122683
Molecular Formula
C23H27NO4
Formula Weight
381.46
MOL File
1015037-46-3.mol
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Sacubitril Impurity Property

Boiling point:
595.6±50.0 °C(Predicted)
Density 
1.132±0.06 g/cm3(Predicted)
storage temp. 
Storage temp. 2-8°C
pka
4.67±0.19(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C23H27NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-14,20H,15H2,1-4H3,(H,24,27)(H,25,26)/b16-14+/t20-/m1/s1
InChIKey
JXTNUXJSXXIIFE-KETLNSEPSA-N
SMILES
C(O)(=O)/C(/C)=C/[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(C2=CC=CC=C2)C=C1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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Sacubitril Impurity Chemical Properties,Usage,Production

Uses

(2E,4S)-5-[1,1''-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid was used in the study to process for preparation of biaryl-substituted 4-aminobutyric acids by hydrogenation of the corresponding alkenoates.

Sacubitril Impurity Preparation Products And Raw materials

Raw materials

Preparation Products

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1015037-46-3, Sacubitril ImpurityRelated Search:


  • (2E,4S)-5-[1,1-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid
  • impurity 41
  • 2-Pentenoic acid, 5-[1,1'-biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (2E,4S)-
  • Sacubitril Impurity
  • (S,E)-5-([1,1'-Biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpent-2-enoic acid
  • Sacubitril Impurity 103
  • (2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid
  • LCZ696 valsartan + sacubitril impurity 41
  • Sacubitril Impurity CB
  • 1015037-46-3