Chem
J-GLOBAL ID：201107010872911140   Nikkaji number：J2.982.020A

[2H10]sunitinib

[2H10]スニチニブ
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： C22H17[2H]10FN4O2
Molecular formula furigana： C22-H27-F-N4-O2
Molecular weight： 408.543
InChI： InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-/i1D3,2D3,5D2,6D2
InChI key： WINHZLLDWRZWRT-BLSNYXODSA-N
SMILES： C([2H])([2H])([2H])C([2H])([2H])N(CCNC(=O)c1c(C)[nH]c(/C=C/2\C(=O)Nc3ccc(F)cc23)c1C)C([2H])([2H])C([2H])([2H])[2H]
Systematic name  (3)：
  • N-[2-[ビス(2H5)エチルアミノ]エチル]-2,4-ジメチル-5-[(Z)-(2-オキソ-5-フルオロインドリン-3-イリデン)メチル]-1H-ピロール-3-カルボアミド
  • N-(2-{ビス[(1,1,2,2,2-2H5)エチル]アミノ}エチル)-5-{[(3Z)-5-フルオロ-2-オキソ-2,3-ジヒドロ-1H-インドール-3-イリデン]メチル}-2,4-ジメチル-1H-ピロール-3-カルボキサミド
  • N-(2-{bis[(1,1,2,2,2-2H5)ethyl]amino}ethyl)-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide
Other name (3)：
  • N-[2-[Bis(2H5)ethylamino]ethyl]-2,4-dimethyl-5-[(Z)-(2-oxo-5-fluoroindoline-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
  • [2H10]sunitinib
  • [2H10]スニチニブ
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