(2R)-1-{8-bromo-4,10-dioxatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-2-yl}propan-2-amine hydrochloride

• ChemBase编号: 162866
• 分子式: C13H13BrClNO2
• 平均质量: 330.60482
• 单一同位素质量: 328.98181834
• SMILES: Cl.c12c(c(c3c(c1C[C@H](N)C)occ3)Br)occ2
• Canonical SMILES: C[C@H](Cc1c2occc2c(c2c1cco2)Br)N.Cl
• InChI: InChI=1S/C13H12BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h2-5,7H,6,15H2,1H3;1H/t7-;/m1./s1
• InChIKey: YDIDKNSMQNPNFC-OGFXRTJISA-N

名称和登记号

名称

• IUPAC标准名: (2R)-1-{8-bromo-4,10-dioxatricyclo[7.3.0.0^3,^7]dodeca-1,3(7),5,8,11-pentaen-2-yl}propan-2-amine hydrochloride
• IUPAC传统名: Bromo-DragonFLY hydrochloride
• 别名: (αR)-8-Bromo-α-methylbenzo[1,2-b:4,5-b']difuran-4-ethanamine Hydrochloride; (R)-(-)-Bromo Dragonfly Hydrochloride

登记号

• CAS号: 332012-24-5
• PubChem SID: 162257001
• PubChem CID: 49795902

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.118840754
• LogD (pH = 7.4): 0.58307636
• Log P: 2.89125
• 摩尔折射率: 69.0102 cm^3
• 极化性: 28.744436 Å^3
• 极化表面积: 52.3 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMF; Methanol; Water
• 外观: Off-White Solid
• 熔点: >250°C (dec.)

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - B684210

A potent hallucinogenic drug. The 5-HT2A receptor is known to act as the biologic target for a series of hallucinogenic substances including substituted phenylalkylamines, tryptamines and LSD. A prerequisite for a hallucinogenic effect is an agonistic bi

参考文献

• Chambers, J., et al.: J. Med. Chem., 44, 1003 (2001)
• Pizzaro, N., et al.: J. Anal. Toxicol., 26, 157 (2001)
• Peters, F., et al.: Forensic Sci. Int., 165, 216 (2001)