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Screening compounds

Cyclochlorotine

Also known as Yellowed rice toxin, Chloropeptide, from penicillium islandicum, Chlorine-containing peptide, from penicillium islandicum

CAS 12663-46-6Formula C24H31Cl2N5O7Molar mass 572.45 g/mol
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Cyclochlorotine chemical structure, C24H31Cl2N5O7, CAS 12663-46-6
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
White needles from methanol
Melting point
251 °C
Solubility
SOL IN WATER & N-BUTANOL
HS code
293379
Category
Screening compounds
Illustrative photo, colourless crystals in an open woven sack in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Cyclochlorotine?

Plain description, key identifiers and synonyms

cyclochlorotine has been reported in Talaromyces islandicus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
CAS number
12663-46-6 CAS number cross-checked
Molecular formula
C24H31Cl2N5O7
UNII
B9GK4M718Q
InChIKey
PMBVHCCVEPYDSN-BADCMNFISA-N
InChI
InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1
Canonical SMILES
CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(c2ccccc2)NC(=O)C(CO)NC1=O
Isomeric SMILES
CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@H](C(=O)N2C[C@H]([C@H]([C@H]2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO

Synonyms

  • Yellowed rice toxin
  • Chloropeptide, from penicillium islandicum
  • Chlorine-containing peptide, from penicillium islandicum
  • Cyclic(L-3-phenyl-beta-alanyl-L-seryl-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl)
  • Cyclic(L-3-phenyl-beta-alanyl-L-seryl-(3S-cis)-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl)
  • (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo(14.3.0)nonadecane-2,5,9,12,15-pentone
  • 17,18-dichloro-3-ethyl-6,13-bis(hydroxymethyl)-9-phenyl-octadecahydropyrrolo(1,2-d)1,4,7,10,13-pentaazacyclohexadecane-1,4,7,11,14-pentone
  • 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo(14.3.0)nonadecane-2,5,9,12,15-pentone
  • Chloropeptide
  • Chlorine containing peptide
  • Cyclic(l-3-phenyl-beta-alanyl-l-seryl-(3S-cis)-3,4-dichloro- L-prolyl-l-alpha-aminobutyryl-l-seryl)
  • Cyclic(l-3-phenyl-beta-alanyl-l-seryl-3,4-dichloro-l-prolyl- l-alpha-aminobutyryl-l-seryl)
  • Cyclic(l-3-phenyl-beta-alanyl-l-seryldichloro-l-prolyl-l-alpha-aminobutyryl-l-seryl)
  • Cyclo((3R)-3-phenyl-beta-alanyl-l-seryl-(3S,4R)-3,4-dichloro-l-prolyl-(2S)-2-aminobutanoyl-l-seryl)
  • Cyclo((R)-3-phenyl-beta-alanyl-l-seryl-(2alpha,3alpha,4.alpha.)-3,4-dichloro-l-prolyl-l-2-aminobutanoyl-l-seryl)

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

Appearance
White needles from methanolexp.
Melting point
251 °Cexp.
Solubility
SOL IN WATER & N-BUTANOLexp.

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
572.45 g/molcalc.
Exact mass
571.1601 Dacalc.
LogP (octanol/water)
-1.48calc.
Topological polar surface area
177.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
38calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1CNC(=O)C2CCCN2C(=O)CNC(=O)CC(c2ccccc2)NC(=O)CN1

O=C1CNC(=O)C2CCCN2C(=O)CNC(=O)CC(c2ccccc2)NC(=O)CN1

3 rings, 30 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Cyclochlorotine suppliers

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Cyclochlorotine price

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Uses and applications

What the substance is used for, by industry and function

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 Cyclochlorotine is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cyclochlorotine?

cyclochlorotine has been reported in Talaromyces islandicus.

What is the CAS number of Cyclochlorotine?

The CAS registry number of Cyclochlorotine is 12663-46-6.

What is the molecular formula and weight of Cyclochlorotine?

The molecular formula of Cyclochlorotine is C24H31Cl2N5O7 and its molar mass is 572.45 g/mol.

What is Cyclochlorotine used for?

Known uses and roles of Cyclochlorotine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclochlorotine hazardous?

No GHS hazard classification for Cyclochlorotine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cyclochlorotine?

Cyclochlorotine is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclochlorotine?

Post a free request on CompoundList and suppliers of Cyclochlorotine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cyclochlorotine?

Suppliers quote Cyclochlorotine 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 Cyclochlorotine

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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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