Chem
J-GLOBAL ID：200907008289839748   Nikkaji number：J360.329F

(3R,5S,6E)-3,5-Dihydroxy-7-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyrazinyl)-1H-pyrazol-4-yl]-6-heptenoic acid sodium salt

(3R,5S,6E)-3,5-ジヒドロキシ-7-[5-(4-フルオロフェニル)-3-イソプロピル-1-(2-ピラジニル)-1H-ピラゾール-4-イル]-6-ヘプテン酸ナトリウム
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： C23H24FN4NaO4
Molecular formula furigana： C23-H24-F-N4-NA-O4
Molecular weight： 462.457
InChI： InChI=1S/C23H25FN4O4.Na/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20;/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32);/q;+1/p-1/b8-7+;/t17-,18-;/m1./s1
InChI key： TVZACJNNVHKXCP-LFXPJKTASA-M
SMILES： CC(C)c1nn(c(c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O[Na])c1ccc(F)cc1)c1cnccn1
Systematic name  (3)：
  • (3R,5S,6E)-3,5-ジヒドロキシ-7-[5-(4-フルオロフェニル)-3-イソプロピル-1-(2-ピラジニル)-1H-ピラゾール-4-イル]-6-ヘプテン酸ナトリウム
  • ナトリウム (3R,5S,6E)-7-[5-(4-フルオロフェニル)-3-(プロパン-2-イル)-1-(ピラジン-2-イル)-1H-ピラゾール-4-イル]-3,5-ジヒドロキシヘプタ-6-エノアート
  • sodium (3R,5S,6E)-7-[5-(4-fluorophenyl)-3-(propan-2-yl)-1-(pyrazin-2-yl)-1H-pyrazol-4-yl]-3,5-dihydroxyhept-6-enoate
Other name (1)：
  • (3R,5S,6E)-3,5-Dihydroxy-7-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyrazinyl)-1H-pyrazol-4-yl]-6-heptenoic acid sodium salt
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