Gadobutrol Monohydrate | 198637-52-4

MedKoo Cat#: 555573 | Name: Gadobutrol Monohydrate

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Gadobutrol is a medicinal product used in diagnostic magnetic resonance imaging (MRI) in adults and children. It provides contrast enhancement during cranial, spinal, breast, or other investigations. In the central nervous system, Gadobutrol works by highlighting any areas with disrupted blood brain barrier (BBB) and/or abnormal vascularity. In breast tissue, Gadobutrol exposes the presence and extent of malignant breast disease. Similarly, gadobutrol is also used in contrast-enhanced magnetic resonance angiography (CE-MRA) for the diagnosis of stroke, detection of tumor perfusion, and presence of focal cerebral ischemia.

Chemical Structure

Gadobutrol Monohydrate

CAS#198637-52-4

Theoretical Analysis

MedKoo Cat#: 555573

Name: Gadobutrol Monohydrate

CAS#: 198637-52-4

Chemical Formula: C18H33GdN4O10

Exact Mass: 0.0000

Molecular Weight: 622.73

Elemental Analysis: C, 34.72; H, 5.34; Gd, 25.25; N, 9.00; O, 25.69

Price and Availability

Size	Price	Availability	Quantity
25mg	USD 350.00	2 Weeks
100mg	USD 750.00	2 Weeks

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Related CAS #

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Synonym

Gadobutrol Monohydrate; Gd-DO3A-butrol;

IUPAC/Chemical Name

Gadolinium(III) 2,2',2''-[10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate Monohydrate

InChi Key

LAKUDJWFTFYTQQ-UHFFFAOYSA-K

InChi Code

InChI=1S/C18H34N4O9.Gd.H2O/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;1H2/q;+3;/p-3

SMILES Code

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3]

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 622.73 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Melsaether AN, Kim E, Mema E, Babb J, Kim SG. Preliminary study: Breast cancers can be well seen on 3T breast MRI with a half-dose of gadobutrol. Clin Imaging. 2019 Jun 27;58:84-89. doi: 10.1016/j.clinimag.2019.06.014. [Epub ahead of print] PubMed PMID: 31279989. 2: Cheung HMC, Karanicolas PJ, Coburn N, Law C, Milot L. Late Gadolinium Hyperintensity of Suspected Colorectal Liver Metastases on Gadofosveset-Enhanced Magnetic Resonance Imaging: A Predictor of Benignity and a Potential Problem-Solving Tool. Can Assoc Radiol J. 2019 Jul 1. pii: S0846-5371(19)30011-7. doi: 10.1016/j.carj.2019.03.006. [Epub ahead of print] PubMed PMID: 31272725. 3: Kim YS, Kim M, Choi SH, You SH, Yoo RE, Kang KM, Yun TJ, Lee ST, Moon J, Shin YW. Altered Vascular Permeability in Migraine-associated Brain Regions: Evaluation with Dynamic Contrast-enhanced MRI. Radiology. 2019 Jul 2:182566. doi: 10.1148/radiol.2019182566. [Epub ahead of print] PubMed PMID: 31264949. 4: McDonald JS, Hunt CH, Kolbe AB, Schmitz JJ, Hartman RP, Maddox DE, Kallmes DF, McDonald RJ. Acute Adverse Events Following Gadolinium-based Contrast Agent Administration: A Single-Center Retrospective Study of 281 945 Injections. Radiology. 2019 Jul 2:182834. doi: 10.1148/radiol.2019182834. [Epub ahead of print] PubMed PMID: 31264948. 5: Attari H, Cao Y, Elmholdt TR, Zhao Y, Prince MR. A Systematic Review of 639 Patients with Biopsy-confirmed Nephrogenic Systemic Fibrosis. Radiology. 2019 Jul 2:182916. doi: 10.1148/radiol.2019182916. [Epub ahead of print] PubMed PMID: 31264946. 6: Lee CH, Vellayappan B, Taupitz M, Hamm B, Asbach P. Dynamic contrast-enhanced MR imaging of the prostate: intraindividual comparison of gadoterate meglumine and gadobutrol. Eur Radiol. 2019 Jul 1. doi: 10.1007/s00330-019-06321-6. [Epub ahead of print] PubMed PMID: 31264013. 7: Radbruch A, Richter H, Fingerhut S, Martin LF, Xia A, Henze N, Paulus W, Sperling M, Karst U, Jeibmann A. Gadolinium Deposition in the Brain in a Large Animal Model: Comparison of Linear and Macrocyclic Gadolinium-Based Contrast Agents. Invest Radiol. 2019 Jul 1. doi: 10.1097/RLI.0000000000000575. [Epub ahead of print] PubMed PMID: 31261291. 8: Jacobsen HH, Ringstad G, Jørstad ØK, Moe MC, Sandell T, Eide PK. The Human Visual Pathway Communicates Directly With the Subarachnoid Space. Invest Ophthalmol Vis Sci. 2019 Jun 3;60(7):2773-2780. doi: 10.1167/iovs.19-26997. PubMed PMID: 31247084. 9: Sun Y, Overby PJ, Mehta H. Case 271. Radiology. 2019 Jul;292(1):259-262. doi: 10.1148/radiol.2019170925. PubMed PMID: 31219757. 10: Nam KJ, Park H, Ko ES, Lim Y, Cho HH, Lee JE. Radiomics signature on 3T dynamic contrast-enhanced magnetic resonance imaging for estrogen receptor-positive invasive breast cancers: Preliminary results for correlation with Oncotype DX recurrence scores. Medicine (Baltimore). 2019 Jun;98(23):e15871. doi: 10.1097/MD.0000000000015871. PubMed PMID: 31169691. 11: Baykara M, Ozcan M, Bilgen M, Kelestimur H. Effects of gadolinium and gadolinium chelates on intracellular calcium signaling in sensory neurons. Neurosci Lett. 2019 May 29;707:134295. doi: 10.1016/j.neulet.2019.134295. [Epub ahead of print] PubMed PMID: 31152851. 12: Luetkens JA, Klein S, Träber F, Block W, Schmeel FC, Sprinkart AM, Kuetting DLR, Uschner FE, Schierwagen R, Thomas D, Trebicka J, Kukuk GM. Quantification of liver fibrosis: extracellular volume fraction using an MRI bolus-only technique in a rat animal model. Eur Radiol Exp. 2019 May 29;3(1):22. doi: 10.1186/s41747-019-0100-y. PubMed PMID: 31144201; PubMed Central PMCID: PMC6541689. 13: Szomolanyi P, Rohrer M, Frenzel T, Noebauer-Huhmann IM, Jost G, Endrikat J, Trattnig S, Pietsch H. Comparison of the Relaxivities of Macrocyclic Gadolinium-Based Contrast Agents in Human Plasma at 1.5, 3, and 7 T, and Blood at 3 T. Invest Radiol. 2019 May 21. doi: 10.1097/RLI.0000000000000577. [Epub ahead of print] PubMed PMID: 31124800. 14: Kartamihardja AAP, Hanaoka H, Andriana P, Kameo S, Takahashi A, Koyama H, Tsushima Y. Quantitative analysis of Gd in the protein content of the brain following single injection of gadolinium-based contrast agents (GBCAs) by size exclusion chromatography. Br J Radiol. 2019 Jul;92(1099):20190062. doi: 10.1259/bjr.20190062. Epub 2019 Jun 5. PubMed PMID: 31045442. 15: Gönel A, Koyuncu I. False Immunosuppressant Measurement by LC-MS/MS Method Due to Radiopaque Agents. Comb Chem High Throughput Screen. 2019;22(2):129-134. doi: 10.2174/1386207322666190418125307. PubMed PMID: 31038053. 16: Szűcs A, Kiss AR, Suhai FI, Tóth A, Gregor Z, Horváth M, Czimbalmos C, Csécs I, Dohy Z, Szabó LE, Merkely B, Vágó H. The effect of contrast agents on left ventricular parameters calculated by a threshold-based software module: does it truly matter? Int J Cardiovasc Imaging. 2019 Apr 29. doi: 10.1007/s10554-019-01587-9. [Epub ahead of print] PubMed PMID: 31037474. 17: Cheung HMC, Karanicolas PJ, Coburn N, Law C, Milot L. Tumor enhancement of colorectal liver metastases on preoperative gadobutrol-enhanced MRI at 5 minutes post-contrast injection is associated with overall survival post-hepatectomy. Quant Imaging Med Surg. 2019 Feb;9(2):312-317. doi: 10.21037/qims.2018.10.15. PubMed PMID: 30976555; PubMed Central PMCID: PMC6414770. 18: Robic C, Port M, Rousseaux O, Louguet S, Fretellier N, Catoen S, Factor C, Le Greneur S, Medina C, Bourrinet P, Raynal I, Idée JM, Corot C. Physicochemical and Pharmacokinetic Profiles of Gadopiclenol: A New Macrocyclic Gadolinium Chelate With High T1 Relaxivity. Invest Radiol. 2019 Aug;54(8):475-484. doi: 10.1097/RLI.0000000000000563. PubMed PMID: 30973459. 19: Cheung HMC, Kim JK, Hudson J, Coburn N, Karanicolas PJ, Law C, Milot L. Late gadolinium MRI enhancement of colorectal liver metastases is associated with overall survival among nonsurgical patients. Eur Radiol. 2019 Jul;29(7):3901-3907. doi: 10.1007/s00330-019-06177-w. Epub 2019 Apr 1. PubMed PMID: 30937587. 20: Jost G, Frenzel T, Boyken J, Schoeckel L, Pietsch H. Gadolinium Presence in the Brain After Administration of the Liver-Specific Gadolinium-Based Contrast Agent Gadoxetate: A Systematic Comparison to Multipurpose Agents in Rats. Invest Radiol. 2019 Aug;54(8):468-474. doi: 10.1097/RLI.0000000000000559. PubMed PMID: 30932931.