3,6-bis(diethylamino)-9-(2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]carbonyl}phenyl)-10λ4-xanthen-10-ylium chloride

• ChemBase编号: 154134
• 分子式: C38H37ClN2O5
• 平均质量: 637.16378
• 单一同位素质量: 636.23909997
• SMILES: CCN(CC)c1ccc2c(c1)[o+]c1cc(ccc1c2c1ccccc1C(=O)Oc1ccc2c(cc(=O)oc2c1)C)N(CC)CC.[Cl-]
• Canonical SMILES: CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)Oc2ccc3c(c2)oc(=O)cc3C)ccc(c1)N(CC)CC)CC.[Cl-]
• InChI: InChI=1S/C38H37N2O5.ClH/c1-6-39(7-2)25-14-17-31-33(21-25)44-34-22-26(40(8-3)9-4)15-18-32(34)37(31)29-12-10-11-13-30(29)38(42)43-27-16-19-28-24(5)20-36(41)45-35(28)23-27;/h10-23H,6-9H2,1-5H3;1H/q+1;/p-1
• InChIKey: XCVSDCPWJRHMSZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 3,6-bis(diethylamino)-9-(2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]carbonyl}phenyl)-10λ^4-xanthen-10-ylium chloride
• IUPAC传统名: 3,6-bis(diethylamino)-9-(2-{[(4-methyl-2-oxochromen-7-yl)oxy]carbonyl}phenyl)-10λ^4-xanthen-10-ylium chloride
• 别名: 3,6-Bis(diethylamino)-9-[2-(4-methylcoumarin-7-yloxycarbonyl)phenyl]xanthylium chloride; Rhodamine B 4-methylumbelliferyl ester chloride; Mito Red

登记号

• MDL号: MFCD05664720
• PubChem SID: 162248273
• PubChem CID: 24963097

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 9.076626
• LogD (pH = 7.4): 9.076779
• Log P: 9.076781
• 摩尔折射率: 181.1773 cm^3
• 极化性: 71.29092 Å^3
• 极化表面积: 72.22 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 569 nm; λem 594 nm in DMSO

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥70% (HPLC)
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C38H37ClN2O5

详细说明

Sigma Aldrich - 53271

General description
Mito Red is a cell membrane permeable rhodamine based dye. It localizes mitochondria, and emits red fluorescence. The interaction of Mito Red with mitochondria depends of the membrane potential of the mitochondria. Mitochondria can be stained with 20-200 nM of Mito Red.