methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine hydrochloride

• ChemBase编号: 44455
• 分子式: C17H19ClF3NO
• 平均质量: 345.7870696
• 单一同位素质量: 345.11072657
• SMILES: C(NC)CC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1.Cl
• Canonical SMILES: CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F.Cl
• InChI: InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H
• InChIKey: GIYXAJPCNFJEHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl})amine hydrochloride
• IUPAC传统名: fluoxetine hydrochloride
• 别名: (±)-N-甲基-γ-[4-(三氟甲基)苯氧基]苯基丙胺 盐酸盐; LY-110,140 盐酸盐; 氟西汀 盐酸盐; N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine Hydrochloride; (+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine Hydrochloride; Adofen; Affectine; Alzac 20; Ansilan; Deproxin; Digassim; Zepax; Fluoxetine hydrochloride; Prozac®; (±)-N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine hydrochloride; LY-110,140 hydrochloride; Fluoxetine hydrochloride; Prozac; Sarafem

登记号

• CAS号: 56296-78-7; 59333-67-4
• EC号: 260-101-2
• MDL号: MFCD00214288
• PubChem SID: 24860775; 24278096; 162049218
• PubChem CID: 62857

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.967355
• LogD (pH = 7.4): 1.8271408
• Log P: 4.1732197
• 摩尔折射率: 80.3675 cm^3
• 极化性: 30.439018 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Acetonitrile; Chloroform; DMSO; DMSO: >5 mg/mL; H2O: soluble4 mg/mL; Methanol; Water
• 外观: white solid; White to Off-White Solid
• 熔点: 158-159°C

安全信息

• 保存条件: -20°C; -20°C Freezer
• 保存注意事项: IRRITANT
• RTECS编号: UI4050000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-41-50
• 安全公开号: 26-39-61
• TSCA收录: false
• GHS危险品标识: GHS05; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H318-H400
• GHS警示性声明: P273-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 作用靶点: SSR
• 相关基因信息: human ... HTR1A(3350), HTR1B(3351), HTR1D(3352), HTR1E(3354), HTR1F(3355), HTR2A(3356), HTR2B(3357), HTR2C(3358), HTR3A(3359), HTR3B(9177), HTR3C(170572), HTR3D(200909), HTR3E(285242), HTR4(3360), HTR5A(3361), HTR5B(645694), HTR6(3362), HTR7(3363)

产品相关信息

• 纯度: >95%
• 级别: VETRANAL™, analytical standard
• 成盐信息: Hydrochloride
• Empirical Formula (Hill Notation): C17H18F3NO · HCl

详细说明

Selleck Chemicals - S1333

Research Area: Neurological Disease
Biological Activity:
Fluoxetine  HCl  is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. Fluoxetine  HCl is used to the treatment of major depression (including pediatric depression), obsessive-compulsive disorder (in both adult and pediatric populations), bulimia nervosa, panic disorder and premenstrual dysphoric disorder. [1]

Sigma Aldrich - F132

Biochem/physiol Actions
选择性羟色胺再摄取抑制剂；抗抑郁剂。
Legal Information
经 Eli Lilly and Company 授权销售。
法律信息
Prozac 注册商标 Eli Lilly and Co.

Sigma Aldrich - 34012

Biochem/physiol Actions
选择性羟色胺再摄取抑制剂；抗抑郁剂。
Legal Information
经 Eli Lilly and Company 授权销售。
法律信息
Prozac 注册商标 Eli Lilly and Co.
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - F597100

A selective serotonin reuptake inhibitor (SSRI). Used as an antidepressant.

参考文献

• http://en.wikipedia.org/wiki/Fluoxetine
• Wong, D.T., et al.: Life Sci., 15, 471 (1974)
• Goldstein, D.J., et al.: Br. J. Psychiat., 166, 660 (1974)
• Ni, Y.G., et al.: Proc. Nat. Acad. Sci. USA, 94, 2036 (1997)