2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1)
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2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1)
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CAS No:
109826-27-9
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Formula:
C26H28N4O2.C4H4O4
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Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1)
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Synonyms:
2H-Benzimidazol-2-one,1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-,(2Z)-2-butenedioate (1:1);2H-Benzimidazol-2-one,1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-,(Z)-2-butenedioate (1:1);4H,6H-Pyrrolo[1,2-a][4,1]benzoxazepine,2H-benzimidazol-2-one deriv.;CGS 9343B;Zy 17617B;Zaldaride maleate;KW 5617
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CAS No:
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1) Basic Attributes
544.605
544.232185
Characteristics
124
3.85250
white to off-white
1.31g/cm3
189-190 °C
778ºC at 760 mmHg
424.3ºC
DMSO: >10mg/mL
Desiccate at RT
1.78E-25mmHg at 25°C
Drug Information
Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition. (See all compounds classified as Antidiarrheals.)
1,3-dihydro-1-(1-((4-methyl-4H,6H-pyrrolo(1,2a)(4,1)-benzoxazepin-4-yl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1) Use and Manufacturing
Calmodulin antagonist; inhibits calmodulin-stimulated cAMP phosphodiesterase activity with an IC 50 of 3.3 nM. Also prevents estrogen-induced transcription activation by ER, reversibly blocks voltage-activated Na + , Ca 2+ and K + currents in PC12 cells and inhibits nAChR.
Computed Properties
Molecular Weight:544.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:544.23218475
Monoisotopic Mass:544.23218475
Topological Polar Surface Area:124
Heavy Atom Count:40
Complexity:814
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]-4-piperidinyl]-, (2Z)-2-butenedioate (1:1)
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