Cas no 109581-93-3 (Tacrolimus monohydrate)

Tacrolimus monohydrate is a macrolide immunosuppressant widely used in organ transplantation and autoimmune disease management. Its monohydrate form offers enhanced stability and solubility, ensuring consistent pharmacokinetic performance. The compound acts by inhibiting calcineurin, thereby suppressing T-cell activation and cytokine production. Tacrolimus monohydrate is characterized by high potency, with a well-documented clinical efficacy profile in preventing graft rejection. Its crystalline structure and hydration state contribute to improved handling and formulation properties, making it suitable for precise dosing in pharmaceutical applications. The product meets stringent pharmacopeial standards, ensuring reliability for research and therapeutic use.
Tacrolimus monohydrate structure
Tacrolimus monohydrate structure
Product Name:Tacrolimus monohydrate
CAS No:109581-93-3
MF:C44H71NO13
MW:822.0335
MDL:MFCD11045918
CID:62779
PubChem ID:5282315
Update Time:2025-06-07

Tacrolimus monohydrate Chemical and Physical Properties

Names and Identifiers

    • Tacrolimus monohydrate
    • TACROLIMUS
    • FK-506 monohydrate
    • C44H71NO13
    • FK 506
    • FK-506
    • Tacrolimus hydrate
    • TacroliMus(FK-506)
    • FK 506 Monohydrate
    • FK-506 monohydrate,Tacrolimus
    • FR900506 monohydrate
    • Fujimycin monohydrate
    • Prograf
    • Protopic
    • Fujimycin
    • Tsukubaenolide
    • FK506
    • Tacrolimus anhydrous
    • Modigraf
    • Protopy
    • LCP-Tacro
    • Anhydrous Tacrolimus
    • tacrolimus (fk506)
    • Advagraf
    • 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
    • K506
    • Astagraf XL
    • Prograf (TN)
    • FR900506
    • Tacarolimus
    • FR 900506
    • Y5L2157C4J
    • FK5
    • Tacrolimus (anhydrous)
    • Prograft
    • Tacrolimus [USAN]
    • Graceptor
    • Envarsus
    • Avagraf
    • L 679934
    • Envarsu
    • Tsukubaenolide hydrate
    • Tacrolimus (monohydrate)
    • WM0HAQ4WNM
    • FK506 monohydrate
    • Tacrolimus for system suitability, European Pharmacopoeia (EP) Reference Standard
    • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0,4,9]octacos-18-ene-2,3,10,16-tetrone hydrate
    • UNII-WM0HAQ4WNM
    • CHEMBL3989887
    • GLXC-02501
    • TACROLIMUS [USP MONOGRAPH]
    • SCHEMBL317005
    • HY-13756A
    • TACROLIMUS MONOHYDRATE [EP MONOGRAPH]
    • TACROLIMUS [VANDF]
    • Q27130595
    • EN300-220769
    • AKOS015994743
    • TACROLIMUS MONOHYDRATE [WHO-DD]
    • TACROLIMUS [USP-RS]
    • FK-506 monohydrate, >=98% (HPLC)
    • Tacrolimus, United States Pharmacopeia (USP) Reference Standard
    • Tacrolimus hydrate (JP18)
    • EX-A2657
    • NSC-758659
    • TACROLIMUS [EMA EPAR]
    • NWJQLQGQZSIBAF-MLAUYUEBSA-N
    • 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, hydrate (1:1), (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-
    • AC-32477
    • Tacrolimus, Pharmaceutical Secondary Standard; Certified Reference Material
    • Protopic (TN)
    • TACROLIMUS [ORANGE BOOK]
    • Tacrolimus (USP/INN)
    • (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate
    • 109581-93-3
    • EN300-21682061
    • (-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate
    • (-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-allyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-((E)-2-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)-1-methylvinyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone)monohydrate
    • D00107
    • MFCD11045918
    • (-)-(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-Allyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylvinyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate
    • Tacrolimus [USAN:INN:BAN]
    • CHEBI:61057
    • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone--water (1/1)
    • NSC 758659
    • Q-101412
    • TACROLIMUS MONOHYDRATE [MI]
    • TACROLIMUS HYDRATE [JAN]
    • KS-1245
    • (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-{1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0,4,9]octacos-18-ene-2,3,10,16-tetrone hydrate
    • MDL： MFCD11045918
    • Inchi： 1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1
    • InChI Key： NWJQLQGQZSIBAF-MLAUYUEBSA-N
    • SMILES： O1[C@]2(C(C(N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])C(=O)O[C@]([H])(/C(/C([H])([H])[H])=C(\[H])/[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@@]([H])(C3([H])[H])OC([H])([H])[H])O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([C@]([H])(C([H])([H])C([H])=C([H])[H])C([H])=C(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])([C@]1([H])[C@]([H])(C([H])([H])[C@@]2([H])C([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])=O)O[H])=O)=O)O[H].O([H])[H] |c:78|
    • BRN： 6265275

Computed Properties

  • Exact Mass: 821.49300
  • Monoisotopic Mass: 803.481977
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 7
  • Complexity: 1480
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 179

Experimental Properties

  • Color/Form: No data available
  • Melting Point: 125.0 to 129.0 deg-C
  • Boiling Point: No data available
  • Flash Point: No data available
  • Solubility: DMSO: soluble20mg/mL
  • PSA: 187.59000
  • LogP: 4.51260
  • Merck: 9025
  • Specific Rotation: D23 -84.4° (c = 1.02 in chloroform)
  • Sensitiveness: Sensitive to heat
  • Vapor Pressure: No data available

Tacrolimus monohydrate Security Information

  • Symbol: GHS06
  • Prompt：dangerous
  • Signal Word：Danger
  • Hazard Statement： H301
  • Warning Statement： P264-P270-P301+P310+P330-P405-P501
  • Hazardous Material transportation number：UN 2811
  • WGK Germany：3
  • Hazard Category Code： 25
  • Safety Instruction： S45
  • RTECS：KD4201200
  • Hazardous Material Identification： T
  • Safety Term：S45
  • HazardClass：6.1
  • PackingGroup：III
  • Toxicity：LD50 i.p. in mice: >200 mg/kg (Kino); LD50 in male, female rats (mg/kg): 57.0, 23.6 i.v.; 134, 194 orally (Ohara)
  • Storage Condition：4°C, protect from light
  • Risk Phrases：R25

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Tacrolimus monohydrate Suppliers

Amadis Chemical Company Limited
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(CAS:109581-93-3)Tacrolimus monohydrate
Order Number:A930321
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:00
Price ($):210.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:109581-93-3)Tacrolimus monohydrate
Order Number:LE794
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:39
Price ($):discuss personally

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Amadis Chemical Company Limited
(CAS:109581-93-3)Tacrolimus monohydrate
A930321
Purity:99%
Quantity:1g
Price ($):210.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:109581-93-3)Tacrolimus monohydrate
LE794
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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