Chem
J-GLOBAL ID：201607009987770840   Nikkaji number：J3.477.398J

(3R,1′R,5′S)-2-((S)-2-Hydroxypropyl)-5-hydroxy-7-(3-chloro-4-fluorobenzyl)-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

(3R,1′R,5′S)-2-((S)-2-ヒドロキシプロピル)-5-ヒドロキシ-7-(3-クロロ-4-フルオロベンジル)-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： C25H25ClFN3O5
Molecular formula furigana： C25-H25-CL-F-N3-O5
Molecular weight： 501.940
InChI： InChI=1S/C25H25ClFN3O5/c1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25/h2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3/t12-,14-,16+,25+/m0/s1
InChI key： SUYSDXIXCVFTRC-UCVJIWRCSA-N
SMILES： C[C@H](O)CN1C(=O)c2c3CCN(Cc4ccc(F)c(Cl)c4)C(=O)c3c(O)c(=O)n2[C@]21CC[C@H]1C[C@@H]21
Systematic name  (3)：
  • (3R,1′R,5′S)-2-((S)-2-ヒドロキシプロピル)-5-ヒドロキシ-7-(3-クロロ-4-フルオロベンジル)-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,2R,5S)-8'-[(3-クロロ-4-フルオロフェニル)メチル]-6'-ヒドロキシ-2'-[(2S)-2-ヒドロキシプロピル]-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,2R,5S)-8'-[(3-chloro-4-fluorophenyl)methyl]-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-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)：
  • (3R,1′R,5′S)-2-((S)-2-Hydroxypropyl)-5-hydroxy-7-(3-chloro-4-fluorobenzyl)-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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