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Substance Name: Plecanatide [USAN:INN]
RN: 467426-54-6
UNII: 7IK8Z952OK
InChIKey: NSPHQWLKCGGCQR-DLJDZFDSSA-N

Note

  • A uroguanylin analog and guanylate cyclase (GC-C receptor) agonist that activates receptors on gut epithelial cells to maintain barrier function, mucus production, and suppress inflammation. It is used in the treatment of chronic idiopathic constipation and other gastrointestinal disorders.

    DrugBank:Plecanatide is a drug approved in January 2017 by the FDA for the treatment of chronic idiopathic constipation (CIC). It should not be used in children less than six years of age, and should be avoided in patients six years to 18 years of age.

Molecular Formula

  • C65-H104-N18-O26-S4

Molecular Weight

  • 1681.9006
 

Classification Codes

  • Chronic Constipation, Irritable Bowel Syndrome with Constipation (IBS-C)
  • Enzyme Activators
  • Gastrointestinal Agents
  • Guanylyl Cyclase C Agonists
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Names and Synonyms

Name of Substance

  • Plecanatide [USAN:INN]

Synonyms

  • (3-Glutamic acid(D>E))human uroguanylin (UGN)
  • HSDB 8405
  • Plecanatide
  • SP-304
  • Trulance
  • UNII-7IK8Z952OK

Systematic Name

  • L-Leucine, L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L- cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4->12),(7->15)-bis(disulfide)

Registry Numbers

CAS Registry Number

  • 467426-54-6

FDA UNII

  • 7IK8Z952OK

System Generated Number

  • 0467426546

Structure Descriptors

InChI

InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1

InChIKey

NSPHQWLKCGGCQR-DLJDZFDSSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N)C(=O)O