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Gadoteridol

CAS 120066-54-8C17H29GdN4O7MW 558.7

Gadoteridol (CAS 120066-54-8) — formula C17H29GdN4O7, molecular weight 558.7; category organic chemicals.

Specifications

CAS Number120066-54-8
Molecular FormulaC17H29GdN4O7
Molecular Weight558.7
Melting Point>225 °C
CategoryOrganic Chemicals

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What this product is

Gadoteridol is a carbon-based organic compound with CAS registry number 120066-54-8 and molecular formula C17H29GdN4O7 (molecular weight 558.7), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 120066-54-8

Its molecular formula C17H29GdN4O7 comprises 17 C, 29 H, 1 Gd, 4 N, 7 O atoms.

Also known as: 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)

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Gadoteridol?

The CAS registry number of Gadoteridol is 120066-54-8.

What is the molecular formula and molecular weight of Gadoteridol?

Molecular formula C17H29GdN4O7, molecular weight 558.7.

What other names is Gadoteridol known by?

It is also registered under: 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).

Which category does Gadoteridol belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Gadoteridol (CAS 120066-54-8), reproduced here for independent cross-checking.

Physical description and handling notes

  • 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.

Reported physical properties

熔点>225 °C
溶解度In water, 737 mg/mL

How this substance is indexed

CAS Registry Number120066-54-8
PubChem CID60714
分子式C17H29GdN4O7
IUPAC 名称2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
UNII(FDA)0199MV609F

Documented uses

  • 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.

Names this substance appears under

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

Computed molecular descriptors

分子量558.7
氢键供体数1
氢键受体数11
可旋转键数5
精确质量559.12774
单同位素质量559.12774
拓扑极性表面积154
重原子数29
形式电荷0
复杂度471

Database abstract

Gadoteridol · CAS 120066-54-8 · C17H29GdN4O7. UNII 0199MV609F. 熔点: >225 °C; 溶解度: In water, 737 mg/mL.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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