Gadoteridol

Description

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

Identification

CAS Registry Number	120066-54-8
PubChem CID	60714
Molecular formula	C17H29GdN4O7
IUPAC name	2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
UNII (FDA)	0199MV609F

Computed Descriptors

Molecular Weight	558.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	559.12774
Monoisotopic Mass	559.12774
Topological Polar Surface Area	154
Heavy Atom Count	29
Formal Charge	0
Complexity	471

Physical & Chemical Properties

Melting Point	>225 °C
Solubility	In water, 737 mg/mL

Physical description & handling notes

• White solid obtained as an aggregate clump of fine needle-like micro-crystals from methanol/acetone
• Solubility (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.

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.

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Gadoteridol?

CAS 120066-54-8; molecular formula C17H29GdN4O7; molecular weight — g/mol.

What other names is Gadoteridol known by?

GADOTERIDOL, ProHance, 120066-54-8, Gadolinium-HP-DO3A, Prohance Multipack, DTXSID2048662.

What are the key physical properties of Gadoteridol?

Melting Point: >225 °C; Solubility: In water, 737 mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.