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Peptides

Ceruletide

Also known as Caerulein, Cerulein, Ceruletida

CAS 17650-98-5Formula C58H73N13O21S2Molar mass 1,352.43 g/mol
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Ceruletide chemical structure, C58H73N13O21S2, CAS 17650-98-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17650-98-5
Formula
C58H73N13O21S2
Molar mass
1,352.43 g/mol
HS code
293379
Category
Peptides

What is Ceruletide?

Plain description, key identifiers and synonyms

Ceruletide is a decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. It has a role as a diagnostic agent and a gastrointestinal drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
CAS number
17650-98-5 CAS number cross-checked
Molecular formula
C58H73N13O21S2
UNII
888Y08971B
MDL number
MFCD00076478
InChIKey
YRALAIOMGQZKOW-HYAOXDFASA-N
InChI
InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1
Canonical SMILES
CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O
Isomeric SMILES
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O

Synonyms

  • Caerulein
  • Cerulein
  • Ceruletida
  • Ceruletidum
  • Ceruletid
  • ceruletide diethylamide
  • FI 6934
  • 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide
  • 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen sulfate) (ester)
  • Caerulein (~85%)
  • Ceruletide (USAN/INN)
  • Caerulein, sulfated
  • Caerulein triammonium
  • Ceruletide (Standard)
  • Caerulein (>85%)
  • pGlu-Gln-Asp-Tyr(SO3H)-Thr-Gly-Trp-Met-Asp-Phe-NH2
  • 5-Oxo-l-prolyl-l-glutaminyl-l-a-aspartyl-o-sulfo-l-tyrosyl-l-threonylglycyl-l-tryptophyl-l-methionyl-l-alpha-aspartyl-l-phenylalaninamide

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
1,352.43 g/molcalc.
Exact mass
1,351.4485 Dacalc.
LogP (octanol/water)
-4.52calc.
Topological polar surface area
551.4 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
38calc.
Heavy atoms
94calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 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=C(CNC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CCC(=O)N1)NCCc1ccccc1

O=C(CNC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CCC(=O)N1)NCCc1ccccc1

5 rings, 66 atoms.

8 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.

Ceruletide suppliers

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All 8 suppliers
8 of 8 offers

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Where suppliers are based

8 suppliers in 2 countries

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Ceruletide 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

Roles

  • diagnostic agent
  • gastrointestinal drug
  • pharmaceutical

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 Ceruletide 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 Ceruletide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Ceruletide?

Ceruletide is a decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence.

What is the CAS number of Ceruletide?

The CAS registry number of Ceruletide is 17650-98-5.

What is the molecular formula and weight of Ceruletide?

The molecular formula of Ceruletide is C58H73N13O21S2 and its molar mass is 1,352.43 g/mol.

What is Ceruletide used for?

Known uses and roles of Ceruletide include diagnostic agent, gastrointestinal drug and pharmaceutical.

Is Ceruletide hazardous?

No GHS hazard classification for Ceruletide 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 Ceruletide?

Ceruletide 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 Ceruletide?

CompoundList lists 8 suppliers of Ceruletide in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ceruletide?

Suppliers quote Ceruletide 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

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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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