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Substance Name: PD 135158
RN: 130325-35-8
InChIKey: VGYSYZANPWJYKO-JUJJXWOISA-N

Note

  • Selective cholecystokinin type B receptor agonist.

Classification Codes

  • Anti-Anxiety Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Psychotropic Drugs
  • Tranquilizing Agents

Molecular Formula

  • C35-H44-N4-O6.C7-H17-N-O5

Molecular Weight

  • 813.984
 
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Names and Synonyms

Name of Substance

  • PD 135158

Synonyms

  • 4((2-((3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-(((1.7.7-trimethylbicyclo(2.2.1)hept-2-yl)oxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino-4-oxobutanoate N-methyl-D-glucamine
  • Cam 1028
  • PD-135158

Systematic Name

  • D-Glucitol, 1-deoxy-1-(methylamino)-, (1S-(1alpha,2beta(S*(S*)),4alpha))-4-((2-((3-(1H-indol-3-yl)-2-methyl-1-oxo-2-((((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)oxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxobutanoate (salt)

Registry Numbers

CAS Registry Number

  • 130325-35-8

System Generated Number

  • 0130325358

Molecular Formulas

Molecular Formula

  • C35-H44-N4-O6.C7-H17-N-O5

Molecular Formula Fragments

  • C35-H44-N4-O6
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C35H46N4O6.C7H17NO5/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-13,23-24,27-28,36H,14-21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t23?,24-,27-,28?,34+,35+;4-,5+,6+,7+/m00/s1

InChIKey

VGYSYZANPWJYKO-JUJJXWOISA-N

Smiles

C1(C)(C)[C@@]2(CC[C@H]1C[C@@H]2OC(=O)N[C@@](C)(C(NC[C@H](NC(=O)CCC(=O)O)c1ccccc1)=O)C[C@@H]1c2c(cccc2)NC1)C.O[C@@H]([C@@H]([C@H](O)CO)O)[C@@H](O)CNC