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Ascomycin chemical structure, C43H69NO12, CAS 104987-12-4
2D chemical structure

Key facts

What buyers check first

CAS number
104987-12-4
Formula
C43H69NO12
Molar mass
792.02 g/mol
EC number
435-850-5
HS code
293499
Category
Impurities and reference standards

What is Ascomycin?

Plain description, key identifiers and synonyms

Ascomycin is a macrolide that is produced by the fermentation of Streptomyces hygroscopicus and exhibits strong immunosuppressant properties. It has a role as an immunosuppressive agent, an antifungal agent and a bacterial metabolite. It is a macrolide, an ether, a secondary alcohol and a lactol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-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-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
CAS number
104987-12-4 CAS number cross-checkedOther or deprecated CAS: 11011-38-4, 135635-46-0
EC numbers
435-850-5, 600-627-5, 658-052-0, 998-892-8
Molecular formula
C43H69NO12
UNII
AUF4U5NSJK
MDL number
MFCD06198665
InChIKey
ZDQSOHOQTUFQEM-NURRSENYSA-N
InChI
InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
Canonical SMILES
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
CC[C@@H]1/C=C(/C[C@@H](C[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](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C

Synonyms

  • Immunomycin
  • Changchuanmycin
  • FK 520
  • FR 520
  • Ascomycin (Immunomycin,FK-520)?
  • Ascomycin, Tacrolimus EP Impurity A
  • Fermentation product from Streptomyces hygroscopicus
  • Ascomycin, Streptomyces hygroscopicus var ascomyceticus
  • Tacrolimus impurity, ascomycin-
  • Tacrolimus monohydrate impurity a
  • Ascomycin from Streptomyces hygroscopicus var. ascomyceticus

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
792.02 g/molcalc.
Exact mass
791.482 Dacalc.
LogP (octanol/water)
4.47calc.
Topological polar surface area
178.4 ร…ยฒcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
56calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.81calc.
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
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Ascomycin suppliers

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Ascomycin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Bacterial Agents
  • Immunosuppressive Agents

Roles

  • antifungal agent
  • antimicrobial agent
  • bacterial metabolite
  • immunomodulator
  • immunosuppressive agent
  • metabolite
  • pharmaceutical
  • prokaryotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ascomycin 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 Ascomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Ascomycin?

Ascomycin is a macrolide that is produced by the fermentation of Streptomyces hygroscopicus and exhibits strong immunosuppressant properties. It has a role as an immunosuppressive agent, an antifungal agent and a bacterial metabolite. It is a macrolide, an ether, a secondary alcohol and a lactol.

What is the CAS number of Ascomycin?

The CAS registry number of Ascomycin is 104987-12-4. Other or deprecated CAS numbers: 11011-38-4, 135635-46-0.

What is the molecular formula and weight of Ascomycin?

The molecular formula of Ascomycin is C43H69NO12 and its molar mass is 792.02 g/mol.

What is Ascomycin used for?

Known uses and roles of Ascomycin include antifungal agent, antimicrobial agent, bacterial metabolite, immunomodulator, immunosuppressive agent and 5 more.

Is Ascomycin hazardous?

Ascomycin carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ascomycin?

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

Where can I buy Ascomycin?

CompoundList lists 26 suppliers of Ascomycin in China, United States, Australia, United Kingdom and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ascomycin in India?

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

What is the price of Ascomycin?

Suppliers quote Ascomycin 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 Ascomycin

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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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