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PD 135158

PD 135158 structure

PD 135158 

structure
  • CAS No:

    130325-35-8

  • Formula:

    C35H44N4O6.C7H17NO5

  • Chemical Name:

    PD 135158

  • Synonyms:

    D-Glucitol,1-deoxy-1-(methylamino)-,4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1);D-Glucitol,1-deoxy-1-(methylamino)-,[1S-[1α,2β[S*(S*)],4α]]-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);D-Glucitol,1-deoxy-1-(methylamino)-,4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt);Butanoic acid,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-oxo-,[1S-[1α,2β[S*(S*)],4α]]-,compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);Butanoic acid,4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[[[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-,compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);PD 135158;CAM 1028

PD 135158 Basic Attributes

616.74700

616.32608514

Characteristics

149.62000

6.42130

863ºC

474.1ºC

1.51E-31mmHg at 25°C

Drug Information

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)

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

Computed Properties

Molecular Weight:616.7
XLogP3:4.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:616.32608514
Monoisotopic Mass:616.32608514
Topological Polar Surface Area:150
Heavy Atom Count:45
Complexity:1110
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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