HCID53040

Aspirin isopropylantipyrine

2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-ylpyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid

C23H25N3O4407.5 g/molCAS 74512-62-2

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IDENTITY

结构与身份

标准 SMILES: CC(C)c1c(CNC(=O)c2ccccc2CC(=O)O)n(C)n(-c2ccccc2)c1=O
InChIKey: XKKOTFPJTLHMJF-UHFFFAOYSA-N
分子式: C23H25N3O4
平均分子量: 407.5 g/mol
单同位素质量: 407.18450629

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 90 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 7
重原子: 30
形式电荷: 0
复杂度: 697

ALIASES

名称与别名

共 15 条

Aspirin isopropylantipyrineDTXSID20225511RefChem:1077311DTXCID5014800274512-62-2Acetic acid, 2-(o-(((4-isopropyl-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-yl)methyl)carbamoyl)phenyl)-2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-ylpyrazol-3-yl)methylcarbamoyl]phenyl]acetic acidAspirin-isopropylantipyrineBRN 5647540N-3'a-Propyphenazonyl-2-acetoxybenzamideN-(4-Propylphenazol-5-yl)-2-acetoxybenzamideASP-IPAP1-Phenyl-2-methyl-3-(((2-acetoxybenzoyl)amino)methyl)pyrazoloneN-3'a-Propylphenazonyl-2-acetoxybenzamide[2-({[2-Methyl-5-oxo-1-phenyl-4-(propan-2-yl)-2,5-dihydro-1H-pyrazol-3-yl]methyl}carbamoyl)phenyl]acetic acid

REACTIONS

参与反应

0 条

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