Chem
J-GLOBAL ID:201407084873228422   Nikkaji number:J3.327.494G

AZD-8329

4-[4-[(2-アダマンチル)カルバモイル]-5-tert-ブチル-1H-ピラゾール-1-イル]安息香酸
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: C25H31N3O3
Molecular formula furigana: C25-H31-N3-O3
Molecular weight: 421.541
InChI: InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)/t14-,15+,17-,18+,21?
InChI key: XWBXJBSVYVJAMZ-HNDAYGKNSA-N
SMILES: CC(C)(C)c1c(cnn1c1ccc(cc1)C(=O)O)C(=O)NC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Systematic name  (3):
  • 4-[4-[(2-アダマンチル)カルバモイル]-5-tert-ブチル-1H-ピラゾール-1-イル]安息香酸
  • 4-(5-tert-ブチル-4-{[(1r,3r,5r,7r)-アダマンタン-2-イル]カルバモイル}-1H-ピラゾール-1-イル)安息香酸
  • 4-(5-tert-butyl-4-{[(1r,3r,5r,7r)-adamantan-2-yl]carbamoyl}-1H-pyrazol-1-yl)benzoic acid
Other name (2):
  • 4-[4-[(2-Adamantyl)carbamoyl]-5-tert-butyl-1H-pyrazole-1-yl]benzoic acid
  • AZD-8329
CAS registry number: 1048668-70-7
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