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Oncology and immunology drugs

Tacrolimus

Also known as Fujimycin, Prograf, Tsukubaenolide

CAS 104987-11-3Formula C44H69NO12Molar mass 804.03 g/molEC 627-021-3
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 125 suppliers listed Drug substance
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Tacrolimus chemical structure, C44H69NO12, CAS 104987-11-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104987-11-3
Formula
C44H69NO12
Molar mass
804.03 g/mol
EC number
627-021-3
HS code
293499
Category
Oncology and immunology drugs

What is Tacrolimus?

Plain description, key identifiers and synonyms

Tacrolimus (anhydrous) is a macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. It has a role as an immunosuppressive agent and a bacterial metabolite.

Tacrolimus is an immunosuppressive Rx drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(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
CAS number
104987-11-3 CAS number cross-checkedOther or deprecated CAS: 109581-93-3
EC numbers
627-021-3, 658-056-2
Molecular formula
C44H69NO12
UNII
WM0HAQ4WNM, Y5L2157C4J
MDL number
MFCD00869853, MFCD11045918
InChIKey
QJJXYPPXXYFBGM-LFZNUXCKSA-N
InChI
InChI=1S/C44H69NO12/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/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
Canonical SMILES
C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC
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

Synonyms

  • Fujimycin
  • Prograf
  • Tsukubaenolide
  • Advagraf
  • Modigraf
  • Protopic
  • Tacrolimus anhydrous
  • FK 506
  • Protopy
  • Anhydrous Tacrolimus
  • Tacrolimus monohydrate
  • Envarsus
  • Avagraf
  • Prograft
  • Tacrolimus, anhydrous
  • Astagraf XL
  • Envarsus XR
  • Tacrolimus (anhydrous)
  • Adoport
  • Capexion
  • Hecoria
  • Perixis
  • Vivadex
  • Tacni
  • FR 900506
Show all 38 synonyms
  • (-)-FK 506
  • 8-Deethyl-8-[but-3-enyl]-ascomycin
  • 8-Deethyl-8-(but-3-enyl)-ascomycin
  • tacrolimusum
  • Tacrus
  • Anhydrous, Tacrolimus
  • Tacrolimus 0.1%
  • Tacrolimus Ointment 0.1%
  • tacrolimus extended-release capsules
  • Tacrolimus 0.1% in pseudocatalase
  • tacrolimus (fk506)
  • Tacrolimus (INN)
  • Prograph

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
804.03 g/molcalc.
Exact mass
803.482 Dacalc.
LogP (octanol/water)
4.64calc.
Topological polar surface area
178.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
7calc.
Heavy atoms
57calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
14calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

4 rings, 40 atoms.

74 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H361Suspected of damaging fertility or the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (12)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Tacrolimus suppliers

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All 125 suppliers
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Where suppliers are based

125 suppliers in 19 countries

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Tacrolimus price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Therapeutic category: Immunosupressant, dermatological treatment of atopic eczema.

Immunosuppressive Agents.

Pharmacological actions

  • Calcineurin Inhibitors
  • Immunosuppressive Agents

Roles

  • anti-anaemic agent
  • anti-asthmatic agent
  • anti-inflammatory agent
  • antifibrotic agent
  • antifungal agent
  • antihypertensive agent
  • antiinfective agent
  • antimicrobial agent
  • antineoplastic agent
  • antipsoriatic
  • antirheumatic drug
  • antiviral agent
  • bacterial metabolite
  • cardiovascular drug
  • dermatologic drug
  • hypoglycemic agent
  • immunomodulator
  • immunosuppressive agent
  • nephroprotective agent
  • ophthalmology drug
  • pharmaceutical
  • protective agent
  • renoprotective agent
  • vulnerary

Pharmacology

Tacrolimus anhydrous is a Calcineurin Inhibitor Immunosuppressant. The mechanism of action of tacrolimus anhydrous is as a Calcineurin Inhibitor.

How it is made

Obtained from Streptomyces tsukubaensis. (Tacrolimus hydrate)

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tacrolimus is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Tacrolimus is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tacrolimus, based on the data on this page

What is Tacrolimus?

Tacrolimus (anhydrous) is a macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. It has a role as an immunosuppressive agent and a bacterial metabolite.

What is the CAS number of Tacrolimus?

The CAS registry number of Tacrolimus is 104987-11-3. Other or deprecated CAS numbers: 109581-93-3.

What is the molecular formula and weight of Tacrolimus?

The molecular formula of Tacrolimus is C44H69NO12 and its molar mass is 804.03 g/mol.

What is Tacrolimus used for?

Therapeutic category: Immunosupressant, dermatological treatment of atopic eczema. Immunosuppressive Agents.

Is Tacrolimus hazardous?

Tacrolimus carries the GHS signal word "Danger". Main hazards: toxic if swallowed, suspected of damaging fertility or the unborn child, causes damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tacrolimus?

Tacrolimus is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tacrolimus?

CompoundList lists 125 suppliers of Tacrolimus in China, United States, India, Germany and 15 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Tacrolimus in India?

11 suppliers in India list Tacrolimus on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Tacrolimus?

Suppliers quote Tacrolimus on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tacrolimus

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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