8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium;dichloride
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8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium;dichloride
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CAS No:
77795-98-3
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Formula:
C22H28Cl2F2N2
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Chemical Name:
8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium;dichloride
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Synonyms:
VUFB-14129;77795-98-3;1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride, hydrate (2:3:1)
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CAS No:
8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium;dichloride Basic Attributes
429.4 g/mol
428.1597606 g/mol
Computed Properties
Molecular Weight:429.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:428.1597606
Monoisotopic Mass:428.1597606
Topological Polar Surface Area:8.9
Heavy Atom Count:28
Complexity:432
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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