Tacrolimus monohydrate

Base Information

• Chemical Name: Tacrolimus monohydrate
• CAS No.: 109581-93-3
• Molecular Formula: C44H69NO12^.H2O
• Molecular Weight: 822.16
• Hs Code.: 2934990002
• European Community (EC) Number: 634-559-2
• UNII: WM0HAQ4WNM
• ChEMBL ID: CHEMBL3989887
• Metabolomics Workbench ID: 61427
• NCI Thesaurus Code: C1311
• Pharos Ligand ID: G7CW8R2F18CM
• RXCUI: 42316
• Wikidata: Q27130595
• Mol file: 109581-93-3.mol

Synonyms:Anhydrous Tacrolimus;Anhydrous, Tacrolimus;FK 506;FK-506;FK506;FR 900506;FR-900506;FR900506;Prograf;Prograft;Tacrolimus;Tacrolimus Anhydrous;Tacrolimus, Anhydrous

Chemical Property of Tacrolimus monohydrate

Chemical Property:

• Vapor Pressure: 1.73E-35mmHg at 25°C
• Boiling Point: 871.7 °C at 760 mmHg
• Flash Point: 481 °C
• PSA: 187.59000
• LogP: 4.51260
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble20mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 821.49254132
• Heavy Atom Count: 58
• Complexity: 1480

Purity/Quality:

98.5%min ^*data from raw suppliers

FK-506 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC.O
• Recent ClinicalTrials: Pharmacokinetics, Effectiveness and Tolerability of Prolonged-release Tacrolimus After Paediatric Kidney Transplantation
• Recent EU Clinical Trials: Study to evaluate the efficacy and side effects of Envarsus in patients who had a kidney transplantation
• Recent NIPH Clinical Trials: A pharmacological study of tacrolimus ointment
• Uses: immune suppressant, antifungal FK-506 monohydrate has been used:as an immunosuppressive agent in coculture medium to study the effect of immunologic reactionas a calcineurin inhibitor, in anhydrous Me2SO solutionto treat retinal pigment epithelial cells to measure possible cytotoxicity