Chem
J-GLOBAL ID:200907024757772350   Nikkaji number:J330.329B

(+)-BAY-k-8644

(+)-BAY-k-8644
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: C16H15F3N[N+]O3[O-]
Molecular formula furigana: C16-H15-F3-N2-O4
Molecular weight: 356.301
InChI: InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m1/s1
InChI key: ZFLWDHHVRRZMEI-CYBMUJFWSA-N
SMILES: COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1C(F)(F)F)[N+](=O)[O-])C
Systematic name  (7):
  • [4R,(+)]-1,4-ジヒドロ-2,6-ジメチル-4β-(2-トリフルオロメチルフェニル)-5-ニトロピリジン-3-カルボン酸メチル
  • (R)-1,4-ジヒドロ-2,6-ジメチル-5-ニトロ-4-[2-(トリフルオロメチル)フェニル]-3-ピリジンカルボン酸メチル
  • (R)-1,4-ジヒドロ-2,6-ジメチル-5-ニトロ-4-(2-トリフルオロメチルフェニル)ピリジン-3-カルボン酸メチル
  • 1,4-ジヒドロ-2,6-ジメチル-5-ニトロ-4β-(2-トリフルオロメチルフェニル)ピリジン-3-カルボン酸メチル
  • [4R,(+)]-1,4-ジヒドロ-2,6-ジメチル-5-ニトロ-4-(2-トリフルオロメチルフェニル)ピリジン-3-カルボン酸メチル
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Other name (11):
  • R-4407
  • [4R,(+)]-1,4-Dihydro-2,6-dimethyl-5-nitro-4-(2-trifluoromethylphenyl)pyridine-3-carboxylic acid methyl ester
  • 1,4-Dihydro-2,6-dimethyl-5-nitro-4β-(2-trifluoromethylphenyl)pyridine-3-carboxylic acid methyl ester
  • BAY-r-4407
  • (+)-BAY-k-8644
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CAS registry number: 98791-67-4
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