4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)
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4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)
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CAS No:
686347-12-6
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Formula:
C25H25Cl2N7O.ClH
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Chemical Name:
4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)
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Synonyms:
4-Piperidinecarboxamide,1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-,hydrochloride (1:1);4-Piperidinecarboxamide,1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-,monohydrochloride;Otenabant hydrochloride;CP 945598;CP 945598-01;919516-56-6
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CAS No:
Description
Otenabant Hydrochloride is a potent and selective cannabinoid receptor CB1 antagonist with Ki of 0.7 nM, exhibits 10,000-fold greater selectivity against human CB2 receptor.
4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1) Basic Attributes
546.87924
545.126465
X2166Z319O
Characteristics
102
6.18130
white to beige
275-276 °C (decomp)
DMSO: soluble1mg/mL, clear (warmed)
room temp
4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1) Use and Manufacturing
CP 945598 is a selective, high affinity CB1 antagonist (Ki values are 0.7 and 0.12 nM in binding and functional assays respectively). Displays low affinity for CB2 receptors (Ki = 7600 nM).
Computed Properties
Molecular Weight:546.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:545.126442
Monoisotopic Mass:545.126442
Topological Polar Surface Area:102
Heavy Atom Count:36
Complexity:729
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-, hydrochloride (1:1)
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