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Substance Name: PD 134308
RN: 130404-91-0
InChIKey: DEZUAGYSLSZLFO-DRGCLBCYSA-N

Note

  • Selective cholecystokinin type B receptor antagonist; inhibits growth of LoVo, a human colon cancer cell line.

Molecular Formula

  • C35-H42-N4-O6.C7-H17-N-O5

Molecular Weight

  • 809.952
 

Classification Codes

  • Anti-Anxiety Agents
  • Antineoplastic Agents
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Drug / Therapeutic Agent
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Psychotropic Drugs
  • Tranquilizing Agents
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Names and Synonyms

Name of Substance

  • PD 134308

Synonyms

  • CI988
  • PD 134308

Systematic Names

  • D-Glucitol, 1-deoxy-1-(methylamino)-, (R-(R*,R*))-4-((2-((3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxobutanoate (salt)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 4-(((1R)-2-((3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1(3,7))dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxobutanoate (salt)

Registry Numbers

CAS Registry Number

  • 130404-91-0

System Generated Number

  • 0130404910

Molecular Formulas

Molecular Formula

  • C35-H42-N4-O6.C7-H17-N-O5

Molecular Formula Fragments

  • C35-H42-N4-O6
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C35H42N4O6.C7H17NO5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t21?,22?,24?,25?,29-,32?,35+;4-,5+,6+,7+/m00/s1

InChIKey

DEZUAGYSLSZLFO-DRGCLBCYSA-N

Smiles

C1C2C(C3CC(C2)CC1C3)OC(N[C@@](Cc1c[nH]c2c1cccc2)(C)C(NC[C@@H](c1ccccc1)NC(=O)CCC(O)=O)=O)=O.N(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C