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Substance Name: Pentagastrin meglumine
RN: 57448-84-7
InChIKey: CQMHBLZUKMMQQN-WMTHYQLTSA-N

Note

  • A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid.

Molecular Formula

  • C37-H49-N7-O9-S.C7-H17-N-O5

Molecular Weight

  • 979.1124
 
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Names and Synonyms

Name of Substance

  • Pentagastrin meglumine

Systematic Names

  • D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide (1:1)
  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • N-((1,1-Dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenyl alaninamide compd. with 1-deoxy-1-(methylamino)-D-glucitol

Registry Numbers

CAS Registry Number

  • 57448-84-7

System Generated Number

  • 0057448847

Molecular Formulas

Molecular Formula

  • C37-H49-N7-O9-S.C7-H17-N-O5

Molecular Formula Fragments

  • C37-H49-N7-O9-S
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C37H49N7O9S.C7H17NO6/c1-21(38)33(49)42-26-13-9-7-11-24(26)32(48)28(19-31(46)47)44-34(50)27(15-17-54-5)43-35(51)29(18-22-20-40-25-12-8-6-10-23(22)25)41-30(45)14-16-39-36(52)53-37(2,3)4;1-8-7(14)6(13)5(12)4(11)3(10)2-9/h6-13,20-21,27-29,40H,14-19,38H2,1-5H3,(H,39,52)(H,41,45)(H,42,49)(H,43,51)(H,44,50)(H,46,47);3-14H,2H2,1H3/t21-,27-,28-,29-;3-,4-,5+,6-,7?/m01/s1

InChIKey

CQMHBLZUKMMQQN-WMTHYQLTSA-N

Smiles

C[C@@H](C(=O)Nc1ccccc1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCNC(=O)OC(C)(C)C)N.CNC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O