Chem
J-GLOBAL ID：201607016090069666   Nikkaji number：J3.535.960E

EGF-816

ナザルチニブ
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H31ClN6O2
Molecular formula furigana： C26-H31-CL-N6-O2
Molecular weight： 495.020
InChI： InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
InChI key： IOMMMLWIABWRKL-WUTDNEBXSA-N
SMILES： CN(C)C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Systematic name  (3)：
  • N-[7-クロロ-1-[(3R)-1-[(E)-4-(ジメチルアミノ)-2-ブテノイル]-ヘキサヒドロ-1H-アゼピン-3-イル]-1H-ベンゾイミダゾール-2-イル]-2-メチルピリジン-4-カルボアミド
  • N-{7-クロロ-1-[(3R)-1-[(2E)-4-(ジメチルアミノ)ブタ-2-エノイル]アゼパン-3-イル]-1H-1,3-ベンゾジアゾール-2-イル}-2-メチルピリジン-4-カルボキサミド
  • N-{7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide
Other name (4)：
  • N-[7-Chloro-1-[(3R)-1-[(E)-4-(dimethylamino)-2-butenoyl]-hexahydro-1H-azepin-3-yl]-1H-benzoimidazol-2-yl]-2-methylpyridine-4-carboxamide
  • EGF-816
  • ナザルチニブ
  • Nazartinib
CAS registry number： 1508250-71-2
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