7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide

• ChemBase编号: 105154
• 分子式: C16H26BrNO
• 平均质量: 328.28774
• 单一同位素质量: 327.11977646
• SMILES: Br.CCCN(CCC)C1CCc2cccc(O)c2C1
• Canonical SMILES: CCCN(C1CCc2c(C1)c(O)ccc2)CCC.Br
• InChI: InChI=1S/C16H25NO.BrH/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H
• InChIKey: BATPBOZTBNNDLN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide
• IUPAC传统名: 8-OH-dpat hydrobromide
• 别名: (±)-2-二丙基氨基-8-羟基-1,2,3,4-四氢萘; (±)-8-羟基-2-(二丙基氨基)四氢萘 氢溴酸盐; (±)-8-OH-DPAT; (±)-8-Hydroxy-2-(dipropylamino)tetralin; (±)-8-Hydroxy-2-(dipropylamino)tetralin hydrobromide; (±)-8-Hydroxy-DPAT; (±)-8-HYDROXY-2-DIPROPYLAMINOTETRALIN HYDROBROMIDE; 7-(Dipropylamino)-5,6,7,8-tetrahydro-1-naphthalenol Hydrobromide; (+/-)-8-Hydroxy(N,N-dipropyl-2-amino)tetralin Hydrobromide; 8-OH DPAT; rac-8-Hydroxy-2-dipropylaminotetralin Hydrobromide

登记号

• CAS号: 76135-31-4; 87394-87-4
• MDL号: MFCD00055158
• PubChem SID: 162092523; 24895825
• PubChem CID: 6917794

理论计算性质

• Acid pKa: 9.8180685
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.726973
• LogD (pH = 7.4): 1.4670886
• Log P: 3.539658
• 摩尔折射率: 77.4626 cm^3
• 极化性: 30.019728 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98%; 99%

详细说明

MP Biomedicals - 02158933

Hydrobromide
Purity: 99%
Specific 5-HT_1a agonist.

Sigma Aldrich - H8520

Biochem/physiol Actions
选择性 5-HT1 激动剂1，对亚型 5-HT1A 受体具有高亲和性。2,3
包装
100 mg in glass bottle
25 mg in poly bottle

Toronto Research Chemicals - H941450

Dopamine receptor Agonist.

参考文献

• Middlemiss, D.N., et al., Eur. J. Pharmacol. , 90 : 151 (1983).
• Zahorodna, A., et al.: J. Physiol. Pharmacol., 55, 371 (2004)
• Thompson, M., et al.: Prog. Neuro-Psychopharmacol. Biol. Psych., 32, 1013 (2004)
• Li, J., et al.: J. Pharmacol. Exper. Ther., 324, 827 (2004)