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Substance Name: Ceruletide [USAN:INN:BAN]
RN: 17650-98-5
UNII: 888Y08971B
InChIKey: YRALAIOMGQZKOW-HYAOXDFASA-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

Molecular Weight

  • 1352.42
 

Classification Code

  • Stimulant (Gastric Secretory)
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Names and Synonyms

Name of Substance

  • Caerulein
  • Ceruletide [USAN:INN:BAN]

MeSH Heading

  • Ceruletide

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
  • 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
  • CCRIS 3063
  • Ceruletida
  • Ceruletida [INN-Spanish]
  • Ceruletide
  • Ceruletidum
  • Ceruletidum [INN-Latin]
  • UNII-888Y08971B

Systematic Name

  • Caerulein

Registry Numbers

CAS Registry Number

  • 17650-98-5

FDA UNII

  • 888Y08971B

System Generated Number

  • 0017650985

Structure Descriptors

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

InChIKey

YRALAIOMGQZKOW-HYAOXDFASA-N

Smiles

C1CC(N[C@@H]1C(N[C@H](C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C(N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)=O)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccc(cc1)OS(=O)(=O)O)CCC(N)=O)=O)=O