2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
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2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
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CAS No:
131356-86-0
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Formula:
C38H43N4O7P
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Chemical Name:
2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
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Synonyms:
2-(4-(diphenylmethyl)-1- piperazinyl)ethyl 5-(4,6-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate P-oxide;PAK 104P;PAK 104P trihydrochloride, (trans)-isomer;PAK 104P, (trans)-isomer;PAK-104P;PAK104P;131356-86-0;Pak 104P;SCHEMBL9236016;DTXSID20927169;2-(4-(Diphenylmethyl)-1-piperazinyl)ethyl 5-(4,6-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate P-oxide;2,6-Dimethyl-5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[4-(diphenylmethyl)piperazino]ethyl ester;2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate;2-[4-(Diphenylmethyl)piperazin-1-yl]ethyl 5-(4,6-dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate;3-Pyridinecarboxylic acid, 5-(4,6-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl ester, P-oxide
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CAS No:
2-(4-benzhydrylpiperazin-1-yl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate Basic Attributes
698.7 g/mol
698.28693672 g/mol
Drug Information
2-(4-(diphenylmethyl)-1- piperazinyl)ethyl 5-(4,6-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate P-oxide
Computed Properties
Molecular Weight:698.7
XLogP3:6.1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:698.28693672
Monoisotopic Mass:698.28693672
Topological Polar Surface Area:127
Heavy Atom Count:50
Complexity:1140
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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