采购档案
这个产品是什么
Gadoteridol 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 120066-54-8，分子式 C17H29GdN4O7（分子量 558.7），归属于有机化学品大类化工原料。
识别信息
登记 CAS 号：120066-54-8
其分子式 C17H29GdN4O7 由 17 个碳、29 个氢、1 个钆、4 个氮、7 个氧 组成。
别名/同义词：Gadoteridol · gadolinium 2,2',2''-[10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate - 1-deoxy-1-(methylamino)-D-glucitol (1:1)
所属分类：有机化学品
常见问题
Gadoteridol 的 CAS 号是多少？
Gadoteridol 的 CAS 登记号为 120066-54-8。
Gadoteridol 的分子式与分子量是多少？
分子式 C17H29GdN4O7，分子量 558.7。
Gadoteridol 还有哪些别名？
别名/同义词：Gadoteridol、gadolinium 2,2',2''-[10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate - 1-deoxy-1-(methylamino)-D-glucitol (1:1)。
Gadoteridol 属于哪个分类？
所属分类：Organic Chemicals。
PubChem 公开数据
Gadoteridol（CAS 120066-54-8）的公开数据库记录，列此仅供独立核对。
物理形态与操作说明
- White solid obtained as an aggregate clump of fine needle-like micro-crystals from methanol/acetone
- 溶解度 (mg/mL): methanol 119, isopropanol 41, dimethylformamide 10.1, acetonitrile 6.1, methylene chloride 5.2, ethyl acetate 0.5, acetone 0.4, hexane 0.2, toluene 0.3
- Osmolality (37 °C): 630 mOsM/kg water; viscosity (cP): 2.0 (20 °C), 1.3 (37 °C); density at 25 °C 1.140. /Gadoteridol injection/
- log Kow = -3.68 (octanol/water); logP = -1.98 (butanol/water), at pH 7
- Hydrophilic
- ProHance (Gadoteridol) Injection is a clear, colorless to slightly yellow solution containing 279.3 mg/mL of gadoteridol in rubber stoppered vials.
公开数据库收录的理化数据
| 熔点 | >225 °C |
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| 溶解度 | In water, 737 mg/mL |
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这个物质在各数据库里的编号
| CAS Registry Number | 120066-54-8 |
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| PubChem CID | 60714 |
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| 分子式 | C17H29GdN4O7 |
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| IUPAC 名称 | 2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+) |
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| UNII（FDA） | 0199MV609F |
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数据库记载的用途
- Injectable contrast Medium for Magnetic Resonance Imaging (MRI)
- Typical contrast agents are gadolinium-based compounds that possess a higher linear attenuation coefficient than soft tissues. /Contrast agents/
- Use (kg; approx.) in Germany (2009): >500
- Consumption (g per capita; approx.) in Germany (2009): 0.00611
- Preparation: M. F. Tweedle et al, European Patent Office patent 292689; eidem, United States of America patent 4885363 (1988, 1989, both to Squibb).
- Gadoteridol is indicated for use with magnetic resonance imaging (MRI) in order to visualize lesions with disrupted blood-brain barrier and/or abnormal vascularity in the brain, spine, and associated tissues in adult and pediatric patients, including term neonates. It is also indicated for visualization of lesions in the head and neck in adult patients.
它在各数据库里的别名
GADOTERIDOL; ProHance; 120066-54-8; Gadolinium-HP-DO3A; Prohance Multipack; DTXSID2048662; GD-HP-DO 3A; SQ-32692; Gd-HPDO3A; Gd-HP-DO3A; Gadolinium-HP-Do 3A; DTXCID5028588; 0199MV609F; NSC-760055; HSDB 7549; SQ 32,692
计算机算出的分子描述符
| 分子量 | 558.7 |
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| 氢键供体数 | 1 |
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| 氢键受体数 | 11 |
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| 可旋转键数 | 5 |
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| 精确质量 | 559.12774 |
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| 单同位素质量 | 559.12774 |
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| 拓扑极性表面积 | 154 |
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| 重原子数 | 29 |
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| 形式电荷 | 0 |
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| 复杂度 | 471 |
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数据库摘要
Gadoteridol · CAS 120066-54-8 · C17H29GdN4O7. UNII 0199MV609F. 熔点: >225 °C; 溶解度: In water, 737 mg/mL.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
