Chem
J-GLOBAL ID：201007012055187060   Nikkaji number：J2.875.311J

KAE-609

シパルガミン
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： C19H14Cl2FN3O
Molecular formula furigana： C19-H14-CL2-F-N3-O
Molecular weight： 390.240
InChI： InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
InChI key： CKLPLPZSUQEDRT-WPCRTTGESA-N
SMILES： C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21
Systematic name  (4)：
  • (1R,3S)-2,3,4,9-テトラヒドロ-5′,7-ジクロロ-6-フルオロ-3-メチルスピロ[1H-ピリド[3,4-b]インドール-1,3′-インドリン]-2′-オン
  • (1R,3S)-5′,7-ジクロロ-6-フルオロ-3-メチル-スピロ[2,3,4,9-テトラヒドロ-1H-ピリド[3,4-b]インドール-1,3′-インドリン]-2′-オン
  • (3R,3'S)-5,7'-ジクロロ-6'-フルオロ-3'-メチル-1,2,2',3',4',9'-ヘキサヒドロスピロ[インドール-3,1'-ピリド[3,4-b]インドール]-2-オン
  • (3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
Other name (6)：
  • (1R,3S)-2,3,4,9-Tetrahydro-5′,7-dichloro-6-fluoro-3-methylspiro[1H-pyrido[3,4-b]indole-1,3′-indoline]-2′-one
  • NITD-609
  • (1R,3S)-5′,7-Dichloro-6-fluoro-3-methyl-spiro[2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1,3′-indoline]-2′-one
  • シパルガミン
  • Cipargamin
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