Chem
J-GLOBAL ID：201607019385879278   Nikkaji number：J3.477.400E

(3S,1′R,5′R)-2-Methyl-5-hydroxy-7-(3-chloro-4-fluorobenzyl)-1′-hydroxymethyl-2,3a,7-triaza-8,9-dihydrospiro[3H-cyclopenta[a]naphthalene-3,2′-bicyclo[3.1.0]hexane]-1(2H),4(3aH),6(7H)-trione

(3S,1′R,5′R)-2-メチル-5-ヒドロキシ-7-(3-クロロ-4-フルオロベンジル)-1′-ヒドロキシメチル-2,3a,7-トリアザ-8,9-ジヒドロスピロ[3H-シクロペンタ[a]ナフタレン-3,2′-ビシクロ[3.1.0]ヘキサン]-1(2H),4(3aH),6(7H)-トリオン
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： C24H23ClFN3O5
Molecular formula furigana： C24-H23-CL-F-N3-O5
Molecular weight： 487.910
InChI： InChI=1S/C24H23ClFN3O5/c1-27-21(33)18-14-5-7-28(10-12-2-3-16(26)15(25)8-12)20(32)17(14)19(31)22(34)29(18)24(27)6-4-13-9-23(13,24)11-30/h2-3,8,13,30-31H,4-7,9-11H2,1H3/t13-,23-,24+/m1/s1
InChI key： CMKPKOVJKYIZNW-DHTHFVMWSA-N
SMILES： CN1C(=O)c2c3CCN(Cc4ccc(F)c(Cl)c4)C(=O)c3c(O)c(=O)n2[C@@]21CC[C@@H]1C[C@]21CO
Systematic name  (3)：
  • (3S,1′R,5′R)-2-メチル-5-ヒドロキシ-7-(3-クロロ-4-フルオロベンジル)-1′-ヒドロキシメチル-2,3a,7-トリアザ-8,9-ジヒドロスピロ[3H-シクロペンタ[a]ナフタレン-3,2′-ビシクロ[3.1.0]ヘキサン]-1(2H),4(3aH),6(7H)-トリオン
  • (1R,2S,5R)-8'-[(3-クロロ-4-フルオロフェニル)メチル]-6'-ヒドロキシ-1-(ヒドロキシメチル)-2'-メチル-2',5',7',8',9',10'-ヘキサヒドロ-1'H-スピロ[ビシクロ[3.1.0]ヘキサン-2,3'-イミダゾ[4,3-a]2,6-ナフチリジン]-1',5',7'-トリオン
  • (1R,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-2',5',7',8',9',10'-hexahydro-1'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[4,3-a]2,6-naphthyridine]-1',5',7'-trione
Other name (1)：
  • (3S,1′R,5′R)-2-Methyl-5-hydroxy-7-(3-chloro-4-fluorobenzyl)-1′-hydroxymethyl-2,3a,7-triaza-8,9-dihydrospiro[3H-cyclopenta[a]naphthalene-3,2′-bicyclo[3.1.0]hexane]-1(2H),4(3aH),6(7H)-trione
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