Chem
J-GLOBAL ID：200907039055635823   Nikkaji number：J1.404.076E

N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-hydroxyethyl)-N′-[4-(1H-tetrazole-1-yl)phenyl]urea

N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-N-(2-ヒドロキシエチル)-N′-[4-(1H-テトラゾール-1-イル)フェニル]尿素
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： C22H23F2N9O3
Molecular formula furigana： C22-H23-F2-N9-O3
Molecular weight： 499.483
InChI： InChI=1S/C22H23F2N9O3/c1-15(22(36,11-31-13-25-12-27-31)19-7-2-16(23)10-20(19)24)32(8-9-34)21(35)28-17-3-5-18(6-4-17)33-14-26-29-30-33/h2-7,10,12-15,34,36H,8-9,11H2,1H3,(H,28,35)/t15-,22-/m1/s1
InChI key： XZDLNFPQRMJUSV-IVZQSRNASA-N
SMILES： C[C@@H](N(CCO)C(=O)Nc1ccc(cc1)n1cnnn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-N-(2-ヒドロキシエチル)-N′-[4-(1H-テトラゾール-1-イル)フェニル]尿素
  • 1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-1-(2-ヒドロキシエチル)-3-[4-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]尿素
  • 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1-(2-hydroxyethyl)-3-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]urea
Other name (1)：
  • N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-hydroxyethyl)-N′-[4-(1H-tetrazole-1-yl)phenyl]urea
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