creatinine

Base Information

• Chemical Name: creatinine
• CAS No.: 60-27-5
• Molecular Formula: C4H7N3O
• Molecular Weight: 113.119
• Hs Code.: 29332990
• European Community (EC) Number: 200-466-7
• NSC Number: 760435,13123
• UNII: AYI8EX34EU
• Nikkaji Number: J1.397H
• Wikipedia: Creatinine
• NCI Thesaurus Code: C399
• RXCUI: 2913
• ChEMBL ID: CHEMBL65567
• Mol file: 60-27-5.mol

Synonyms:Creatinine;Creatinine Sulfate Salt;Krebiozen;Salt, Creatinine Sulfate;Sulfate Salt, Creatinine

Chemical Property of creatinine

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 295 °C (dec.)(lit.)
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 201.1oC
• PKA: 4.83(at 25℃)
• Flash Point: 290 °C
• PSA: 58.69000
• Density: 1.474 g/cm³
• LogP: -1.15310
• Storage Temp.: 2-8°C
• Solubility.: 1 M HCl: 0.1 g/mL at 20 °C, clear
• Water Solubility.: SOLUBLE
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.058911855
• Heavy Atom Count: 8
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

Creatinine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 26-36/37/39-45-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Other Biomolecules
• Canonical SMILES: CN1CC(=O)N=C1N
• Recent ClinicalTrials: Lower Urinary Tract Dysfunction in Chronic Chagas' Disease : Clinical and Urodynamic Presentation
• Recent NIPH Clinical Trials: ADMIT-NeP Study
• Description: Creatinine is together with urea, the most widely known "uremic toxin", and is usually assessed when- ever a reduction in kidney function is suspected. This is mainly because creatinine evaluation is cheap, widely accessible and relatively well reflects the renal function. It also forms the basis for estimation of estimated glomerular filtration rate (eGFR) and thus is a major component of all principal eGFR equations.Creatinine, which is nonenzymatically produced from the creatine pool in skeletal muscle, but is also to some extent generated from exogenous creatine present in meat, is the major guanidine compound retained in patients with diminished glomerular filtration rate. Creatinine is routinely determined in plasma or serum as a measure of impairment of renal function and it might be expected that a variety of uremic symptoms correlate with the plasma creatinine level; this does not, however, necessarily imply a causal relationship. In fact, high serum creatinine levels correlate with low mortality in HD patients, presumably because the creatinine generation rate reflects the size of the muscle mass. Creatinine seems to be relatively nontoxic. Large amounts of creatinine have been fed to healthy subjects without any adverse effects and animals also tolerate large doses.
• Uses: metabolic enhancer Creatinine is the end product of creatine catabolism. Creatinine is a normal constituent of urine. Also found together with creatine in muscle tissues and blood. Creatinine is found in all soils and i n grain seeds and other vegetable matter as well as in certain fish and in crab meat extract. Creatinine levels in blood and urine may be used to calculate the creatinine clearance (CrCl), which reflects the glomerular filtration rate (GFR), an important clinical index of renal function. It is a substrate for creatininase.
• Biological Functions: Creatinine is a byproduct of a chemical compound called creatine, which helps muscles get the energy that they need. As a waste product, creatinine is filtered out of the blood by the kidneys and removed from the body in urine.A creatinine test measures the amount of this chemical in either the blood or urine. Creatinine levels can provide an indication of how well the kidneys are working.Creatinine may be measured alone or included in a panel of tests that include other compounds found in the urine or blood.https://labtestsonline.org/tests/creatininehttps://www.kidney.org/atoz/content/what-creatinine

Technology Process of creatinine

There total 47 articles about creatinine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

C5H8N2O2 (1414382-33-4) → creatinine (60-27-5)

Guidance literature:

With ammonium hydroxide; In neat (no solvent); at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1016/j.tetlet.2012.09.057

Reference yield:

C19H19N5O3*C2HF3O2 → creatinine (60-27-5) + phenythoin (57-41-0)

Guidance literature:

In methanol; aq. phosphate buffer; acetonitrile; at 37 ℃; for 1h; pH=7.4;

DOI:10.1016/j.bmcl.2016.02.060

Reference yield:

C21H23N3O6 (1442662-13-6) → creatinine (60-27-5)

Guidance literature:

With 5%-palladium/activated carbon; In methanol; at 20 ℃; for 1h;

upstream raw materials:

sarcosine

guanidine hydrogen carbonate

Sarcosine ethyl ester

CYANAMID

Downstream raw materials:

1-methyldiazolidine-2,4-dione

5--2-imino-1-methyl imidazolid-4-one

5-<(4-hydroxy-3-methoxyphenyl)methylene> 2-imino-1-methyl imidazolid-4-one

sarcosine

Refernces

• 1、 Singh, Satendra,Jen, Jen-Fon,Dryhurst, Glenn. "Autoxidation of the Indolic Neurotoxin 5,6-Dihydroxytryptamine". . p. 1484 - 1489. Retrieved 1990.
• 2、 Beckmann, Bibiana,Begou, Olga,Tsikas, Dimitrios,Weber, Kathrin. "Gc-ms studies on derivatization of creatinine and creatine by bstfa and their measurement in human urine". . . Retrieved 2021.
• 3、 Hamada, Yoshio. "Novel prodrugs with a spontaneous cleavable guanidine moiety". supporting information. p. 1685 - 1689. Retrieved 2016/07/29.