Chem
J-GLOBAL ID：200907065559358422   Nikkaji number：J351.838H

BMY-21950

BMY-21950
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： C23H21F2N4NaO4
Molecular formula furigana： C23-H21-F2-N4-NA-O4
Molecular weight： 478.432
InChI： InChI=1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1
InChI key： NTDIRNUKAZNMSW-QKPRLWPNSA-M
SMILES： Cn1nnnc1C(=C(c1ccc(F)cc1)c1ccc(F)cc1)/C=C/[C@@H](O)C[C@@H](O)CC(=O)O[Na]
Systematic name  (5)：
  • (3R,5S,6E)-3,5-ジヒドロキシ-8-(1-メチル-1H-テトラゾール-5-イル)-9,9-ビス(4-フルオロフェニル)-6,8-ノナジエン酸ナトリウム
  • (3R,5S,6E)-3,5-ジヒドロキシ-9,9-ビス(4-フルオロフェニル)-8-(1-メチル-1H-テトラゾール-5-イル)-6,8-ノナジエン酸ナトリウム
  • (3R,5S,6E)-9,9-ビス(4-フルオロフェニル)-3,5-ジヒドロキシ-8-(1-メチル-1H-テトラゾール-5-イル)-6,8-ノナジエン酸ナトリウム
  • ナトリウム (3R,5S,6E)-9,9-ビス(4-フルオロフェニル)-3,5-ジヒドロキシ-8-(1-メチル-1H-1,2,3,4-テトラゾール-5-イル)ノナ-6,8-ジエノアート
  • sodium (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)nona-6,8-dienoate
Other name (3)：
  • BMY-21950
  • (3R,5S,6E)-9,9-Bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoic acid sodium salt
  • (3R,5S,6E)-3,5-Dihydroxy-9,9-bis(4-fluorophenyl)-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoic acid sodium salt
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