2-[3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]acetic acid

• 常用名: 2-[3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]acetic acid
• 英文名: 2-[3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]acetic acid
• CAS号: 138382-23-7
• 分子量: 459.59800
• 密度: 1.36g/cm3
• 沸点: 646.9ºC at 760 mmHg
• 分子式: C₂₅H₃₃NO₅S
• 熔点: N/A
• 闪点: 345ºC

名称

• 英文名: 2-[3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]acetic acid

物理化学性质

• 密度: 1.36g/cm3
• 沸点: 646.9ºC at 760 mmHg
• 分子式: C₂₅H₃₃NO₅S
• 分子量: 459.59800
• 闪点: 345ºC
• 精确质量: 459.20800
• PSA: 103.29000
• LogP: 4.42760
• InChIKey: XKVDTEPESVJNPJ-UHFFFAOYSA-N
• SMILES: CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C(O)(CC(=O)O)C2
• 蒸汽压: 1.29E-17mmHg at 25°C
• 折射率: 1.645

靶点实验

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实验名称：Human OT receptor (Vasopressin and oxytocin receptors) 来源：IUPHAR-DB 靶标：OT receptor (Vasopressin and oxytocin receptors) [Homo sapiens] External Id：369_Human

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英文别名

• (1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylic acid
• (1R-trans)-2-(3,4-difluorophenyl)-cyclopropanecarboxylic acid
• trans-(1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylic acid
• trans-2-(3,4-difluorophenyl)cyclopropanecarboxylic acid
• (1R,2R)-trans-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylic acid
• (1R,2R)-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylic acid