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Adagrasib

Adagrasib / CAS : 2326521-71-3

Appearance - UN -
HS - DG Class -
Synonyms MRTX849; MRTX-849; 2-((S)-4-(7-(8-Chloronaphthalen-1-yl)-2-(((S)-1-Methylpyrrolidin-2-yl)Methoxy)-5,6,7,8-Tetrahydropyrido[3,4-d]Pyrimidin-4-yl)-1-(2-Fluoroacryloyl)Piperazin-2-yl)Acetonitrile; 2-[(2S)-4-[7-(8-Chloronaphthalen-1-yl)-2-[[(2S)-1-Methylpyrrolidin-2-yl]Methoxy]-6,8-Dihydro-5H-Pyrido[3,4-d]Pyrimidin-4-yl]-1-(2-Fluoroprop-2-Enoyl)Piperazin-2-yl]Acetonitrile; 2-Piperazineacetonitrile, 4-[7-(8-Chloro-1-Naphthalenyl)-5,6,7,8-Tetrahydro-2-[[(2S)-1-Methyl-2-Pyrrolidinyl]Methoxy]Pyrido[3,4-d]Pyrimidin-4-yl]-1-(2-Fluoro-1-oxo-2-Propen-1-yl)-, (2S)-; ((2S)-4-(7-(8-Chloronaphthalen-1-YL)-2-(((2S)-1- Methylpyrrolidin-2-YL)Methoxy)-5,6,7,8- Tetrahydropyrido(3,4-D)Pyrimidin-4-YL)-1-(2-Fluoroprop2-Enoyl)Piperazin-2-YL)Acetonitrile; [(2S)-4-[7-(8-Chloro-1-Naphthyl)-2-{[(2S)-1-Methyl-2-Pyrrolidinyl]Methoxy}-5,6,7,8-Tetrahydropyrido[3,4-d]Pyrimidin-4-yl]-1-(2-Fluoroacryloyl)-2-Piperazinyl]Acetonitrile
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Properties

Summary

Formula
C32H35ClFN7O2
Molecular Mass
604.12
Exact Mass
0
IUPAC
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
SMILES
CN1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Inhibitors

Chemical and Physical Properties

Density
1.295±0.06 g/cm3(Predicted)
Boiling Point
860.2±75.0 °C(Predicted)

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