sodium 2-[(1E,3E,5E)-7-[(2Z)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium

• ChemBase编号: 72821
• 分子式: C43H47N2NaO6S2
• 平均质量: 774.96285
• 单一同位素质量: 774.27732352
• SMILES: C1(=[N+](c2c(C1(C)C)c1c(cc2)cccc1)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C/1\N(c2c(C1(C)C)c1c(cc2)cccc1)CCCCS(=O)(=O)[O-].[Na+]
• Canonical SMILES: CC1(C)c2c3ccccc3ccc2[N+](=C1/C=C/C=C/C=C/C=C/1\N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1
• InChIKey: MOFVSTNWEDAEEK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-[(1E,3E,5E)-7-[(2Z)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium; sodium 2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
• IUPAC传统名: sodium 2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium; sodium 2-[(1E,3E,5E)-7-[(2Z)-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium; potassium 2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium
• 别名: 靛氰绿; 靛花青绿; 吲哚菁绿; 吲哚菁绿; 福氏绿; 心脏绿; IR-125; Foxgreen; Indocyanine green; Cardiogreen; Indocyanine green; IC Green; Indocyanine green; Cardiogreen

登记号

• CAS号: 3599-32-4
• EC号: 222-751-5
• MDL号: MFCD00013078
• Beilstein号: 4115884
• PubChem SID: 162037742; 24853143
• PubChem CID: 5282412

理论计算性质

• Acid pKa: -0.93569994
• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 4.9184217
• LogD (pH = 7.4): 4.9059205
• Log P: 6.053551
• 摩尔折射率: 228.8831 cm^3
• 极化性: 85.99947 Å^3
• 极化表面积: 120.65 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 紫外吸收波长: λmax 775 nm

安全信息

• 保存条件: -20°C; Room Temperature (15-30°C)
• RTECS编号: DE3150000
• 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: Dye Content ~90%
• 级别: for microscopy
• 成盐信息: Sodium Salt
• 主要成分: Dye content, 80%
• Empirical Formula (Hill Notation): C43H47N2NaO6S2

详细说明

MP Biomedicals - 02155020

(Cardiogreen) Dye content: ~ 90%

Selleck Chemicals - S1924

Research Area: Cancer
Biological Activity:
Indocyanine green(Cardiogreen) is a cyanine dye used in medical diagnostics. It is used for determining cardiac output, hepatic function, and liver blood flow,and for ophthalmic angiography. It has a peak spectral absorption at about 800 nm. These infrared frequencies penetrate retinal layers, allowing ICG angiography to image deeper patterns of circulation than Fluorescein angiography. ICG binds tightly to plasma proteins and becomes confined to the vascular system. ICG has a half-life of 150 to 180 seconds and is removed from circulation exclusively by the liver to bile juice. [1]

Sigma Aldrich - 228869

Application
红外激光染料。

Sigma Aldrich - 21980

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
用于肝功能测定的诊断助剂1

参考文献

• Paques M., et al., Arch Ophthalmol, 121(3): 367-370, (2003).
• http://en.wikipedia.org/wiki/Indocyanine_green