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

• ChemBase编号: 155362
• 分子式: C16H26BrNO
• 平均质量: 328.28774
• 单一同位素质量: 327.11977646
• SMILES: CCCN(CCC)[C@@H]1CCc2cccc(c2C1)O.Br
• Canonical SMILES: CCCN([C@@H]1CCc2c(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/t14-;/m1./s1
• InChIKey: BATPBOZTBNNDLN-PFEQFJNWSA-N

名称和登记号

名称

• IUPAC标准名: (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide
• IUPAC传统名: (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide
• 别名: (R)-(+)-2-Dipropylamino-8-hydroxy-1,2,3,4-tetrahydronaphthalene hydrobromide; (R)-(+)-8-Hydroxy-2-(dipropylamino)tetralin hydrobromide; (R)-(+)-8-Hydroxy-DPAT hydrobromide

登记号

• CAS号: 78095-19-9
• MDL号: MFCD00153810
• PubChem SID: 162249500; 24278480
• PubChem CID: 11957570

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

理化性质

• 溶解度: H2O: >10 mg/mL at ±60 °C (with sonication)
• 外观: white to off-white solid
• 比旋光度: [α]25/D +68.2°, c = 1 in methanol(lit.)

安全信息

• 保存条件: protect from light
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... HTR1A(3350)

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C16H25NO · HBr

详细说明

Sigma Aldrich - H140

Biochem/physiol Actions
(R)-(+)-8-Hydroxy-DPAT is a full 5-HT1A serotonin receptor agonist; active enantiomer of (±)-8-hydroxy-DPAT.