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CAS 104987-11-3

CAS 104987-11-3 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 104987-11-3
CAS 104987-11-3PubChem CID 445643

Tacrolimus

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
Molecular formula
C44H69NO12
Molecular weight
804.0 g/mol
Exact mass
803.48197664 Da
XLogP3
2.7
Topological polar surface area
178.0 Ų
Hydrogen-bond donors
3
Hydrogen-bond acceptors
12
Covalent units
1
Defined stereocentres
14

Also known as

FujimycinPrografTsukubaenolideAdvagrafModigrafProtopicTacrolimus anhydrousFK506
16 more reported names
FK 506ProtopyAnhydrous TacrolimusTACROLIMUS MONOHYDRATEEnvarsusAvagrafFR-900506PrograftTacrolimus, anhydrousAstagraf XLEnvarsus XRTacrolimus (anhydrous)AdoportCapexionHecoriaPerixis
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:61049

tacrolimus (anhydrous)

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.

Formula
C44H69NO12
Average mass
804.031 g/mol
Monoisotopic mass
803.48198 Da
Formal charge
0
  • macrolide lactam — is a (CHEBI:145565)
  • bacterial metabolite — has role (CHEBI:76969)
  • immunosuppressive agent — has role (CHEBI:35705)
  • bacterial metabolite — has role (CHEBI:76969)
  • immunosuppressive agent — has role (CHEBI:35705)
  • macrolide lactam — is a (CHEBI:145565)
Additional curated names
(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-hexadec8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN(-)-FK 506FK 506FK506tacrolimusTacrolimustacrolimus anhydrous
Cross-references from this source
  • CAS: 104987-11-3 — KEGG COMPOUND
  • CAS: 104987-11-3 — ChemIDplus
  • CAS: 104987-11-3 — KEGG DRUG
  • REGISTRY_NUMBER: 3647477 — Reaxys
  • REGISTRY_NUMBER: 8821611 — Reaxys
  • MANUAL_X_REF: C01375 — KEGG COMPOUND
  • MANUAL_X_REF: D08556 — KEGG DRUG
  • MANUAL_X_REF: DB00864 — DrugBank
  • MANUAL_X_REF: EP184162 — Patent
  • MANUAL_X_REF: FK5 — PDBeChem
  • MANUAL_X_REF: LMPK04000003 — LIPID MAPS
  • MANUAL_X_REF: US5665727 — Patent

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2019-12-03. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match445643

Attributed physical-property, hazard, environmental and use annotations.

  • Exposure Routes: Absorption of tacrolimus from the gastrointestinal tract after oral administration is incomplete and variable. The absolute bioavailability in adult kidney transplant patients is 17Њ±10%; in adults liver transplant patients is 22Њ±6%; in healthy subjects is 18Њ±5%. The absolute bioavailability in pediatric liver transplant patients was 31Њ±24%. Tacrolimus maximum blood concentrations (Cmax) and area under the curve (AUC) appeared to increase in a dose-proportional fashion in 18 fasted healthy volunteers receiving a single oral dose of 3, 7, and 10 mg. When given without food, the rate and extent of absorption were the greatest. The time of the meal also affected bioavailability. When given immediately after a meal, mean Cmax was reduced 71%, and mean AUC was reduced 39%, relative to the fasted condition. When administered 1.5 hours following the meal, mean Cmax was reduced 63%, and mean AUC was reduced 39%, relative to the fasted condition. Source: Toxin and Toxin Target Database (T3DB)
  • Signal: Danger Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]; H361 (92.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H372 (91.5%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P203, P260, P264, P270, P280, P301+P316, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: Aggregated GHS information provided per 82 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. Source: European Chemicals Agency (ECHA)
  • Signal: Danger Source: Hazardous Substances Data Bank (HSDB)
  • GHS Hazard Statements: H301: Toxic if swallowed [Danger Acute toxicity, oral] Source: Hazardous Substances Data Bank (HSDB)
  • Precautionary Statement Codes: P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement) Source: Hazardous Substances Data Bank (HSDB)
  • Toxicity Summary: IDENTIFICATION AND USE: Tacrolimus is white to off-white crystalline powder. It is a calcineurin-inhibitor immunosuppressant available in several preparations. Tacrolimus in both oral capsules and a solution for IV injection is used for prophylaxis of organ rejection in patients receiving liver, kidney or heart transplants. Tacrolimus topical ointment is used as a second-line therapy for the short-term and non-continuous chronic treatment of moderate to severe atopic dermatitis in non-immunocompromised adults and children. HUMAN EXPOSURE AND TOXICITY: While most acute overdosages of tacrolimus at up to 30 times the intended dose have been asymptomatic and all patients recovered with no sequelae, some acute overdosages were followed by adverse reactions including tremors, abnormal renal function, hypertension, and peripheral edema. At therapeutic doses, patients receiving tacrolimus are at increased risk of developing lymphomas and other malignancies, particularly of the skin, as well as an increased risk of developing bacterial, viral, fungal, and protozoal infections, including opportunistic infections. These infections may lead to serious, including fatal, outcomes. While there a Source: Hazardous Substances Data Bank (HSDB)
  • Toxicity Summary: Signs and Symptoms of Overdose; Tacrolimus toxicity commonly presents as acute kidney injury. Close monitoring of serum creatinine, glomerular filtration rate, and urine output is necessary for patients on tacrolimus. Toxicity may also present as adverse effects, including tremors, electrolyte disturbances, and headaches. Monitor for neurotoxicity, nephrotoxicity, and hypertension. Investigations may indicate increased serum creatinine. An electrocardiogram should be obtained to rule out QT prolongation.; Management of Overdose; No specific antidote is currently available for tacrolimus toxicity, and the drug is not removed by hemodialysis. Management focuses on supportive care, including symptom monitoring and management. Consultation with the poison control center is recommended for current guidance and treatment recommendations. Source: StatPearls
  • Toxicity Summary: The mechanism of action of tacrolimus in atopic dermatitis is not known. While the following have been observed, the clinical significance of these observations in atopic dermatitis is not known. It has been demonstrated that tacrolimus inhibits T-lymphocyte activation by first binding to an intracellular protein, FKBP-12. A complex of tacrolimus-FKBP-12, calcium, calmodulin, and calcineurin is then formed and the phosphatase activity of calcineurin is inhibited. This prevents the dephosphorylation and translocation of nuclear factor of activated T-cells (NF-AT), a nuclear component thought to initiate gene transcription for the formation of lymphokines. Tacrolimus also inhibits the transcription for genes which encode IL-3, IL-4, IL-5, GM-CSF, and TNF-, all of which are involved in the early stages of T-cell activation. Additionally, tacrolimus has been shown to inhibit the release of pre-formed mediators from skin mast cells and basophils, and to downregulate the expression of FceRI on Langerhans cells. Source: Toxin and Toxin Target Database (T3DB)
  • Uses: THERAPEUTIC CATEGORY: Immunosupressant; dermatological treatment of atopic eczema Source: Hazardous Substances Data Bank (HSDB)
  • Uses: Immunosuppressive Agents Source: Hazardous Substances Data Bank (HSDB)
  • Uses: MEDICATION Source: Hazardous Substances Data Bank (HSDB)
  • Uses: Use (kg; approx.) in Germany (2009): >25; Use (kg) in USA (2002): 45; Consumption (g per capita; approx.) in Germany (2009): 0.000305; Consumption (g per capita) in the USA (2002): 0.00016; Calculated removal (%): 6 Source: NORMAN Suspect List Exchange
  • Uses: For use after allogenic organ transplant to reduce the activity of the patient's immune system and so the risk of organ rejection. It was first approved by the FDA in 1994 for use in liver transplantation, this has been extended to include kidney, heart, small bowel, pancreas, lung, trachea, skin, cornea, and limb transplants. It has also been used in a topical preparation in the treatment of severe atopic dermatitis. Source: Toxin and Toxin Target Database (T3DB)

Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record

Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.

Additional source coverage and match status
SourceResultChecked
EMBL-EBI ChEBIExact match2026-08-31
NIH PubChem PUG-ViewExact match2026-08-31

A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Records for CAS 104987-11-3

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How CAS 104987-11-3 is used on this site

CAS 104987-11-3 is the Chemical Abstracts Service identifier used to pin this page to a specific substance. In the current dataset, 0 EU annex records share this identifier, which helps you cross-check whether the same substance appears under one regulatory context or several.

Use this page when a supplier specification, SDS or raw-material dossier gives you CAS 104987-11-3 and you need to see every linked Annex II–VI record in one place. The entry cards above are the quickest route to concentration limits, warnings, annex placement and product-type conditions.