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Substance Name: Ceruletide diethylamine [USAN:JAN]
RN: 71247-25-1
UNII: 4E1MIA8QQL
InChIKey: FHDKSYKZXIFRKJ-CBCFNHQSSA-N

Note

  • A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.

Molecular Formula

  • C58-H73-N13-O21-S2.x-C4-H11-N

Molecular Weight

  • 1425.5546
 

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Stimulant (Gastric Secretory)
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Names and Synonyms

Name of Substance

  • Ceruletide diethylamine
  • Ceruletide diethylamine [USAN:JAN]

Synonyms

  • 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide compound with N-ethylethanamine
  • 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartyl-phenyl-L-alaninamide 4-(hydrogen sulfate) (ester) compound with diethylamine
  • 883-S
  • Caerulein compound with diethylamine
  • Caerulein diethylamine
  • Caerulein diethylamine salt
  • Ceosunin
  • Cerulen
  • Ceruletide diethylamine
  • EINECS 275-298-0
  • Takus
  • Tymtran
  • UNII-4E1MIA8QQL

Systematic Names

  • Caerulein compound with N-ethylethanamine
  • Caerulein, compd. with N-ethylethanamine

Registry Numbers

CAS Registry Number

  • 71247-25-1

FDA UNII

  • 4E1MIA8QQL

System Generated Number

  • 0071247251

Molecular Formulas

Molecular Formula

  • C58-H73-N13-O21-S2.x-C4-H11-N

Molecular Formula Fragments

  • C4-H11-N
  • C58-H73-N13-O21-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C58H73N13O21S2.C4H11N/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;1-3-5-4-2/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);5H,3-4H2,1-2H3/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+;/m1./s1

InChIKey

FHDKSYKZXIFRKJ-CBCFNHQSSA-N

Smiles

CCNCC.C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)[C@H](Cc4ccc(cc4)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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD intramuscular > 10mg/kg (10mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1501, 1989.
mouse LD50 intravenous 1012mg/kg (1012mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 23, Pg. 480, 1972.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 418, 1982.
rat LD oral > 10mg/kg (10mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 1474, 1989.
rat LD50 intramuscular > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 418, 1982.
rat LD50 intravenous 714mg/kg (714mg/kg)   Drugs in Japan Vol. 6, Pg. 418, 1982.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg)   Drugs in Japan Vol. 6, Pg. 418, 1982.