2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid
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![2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6848255e6f0b469ab65cfd4b915fec7c.png "2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid")
2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid
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CAS No:
83983-74-8
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Formula:
C27H28ClN5O3S
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Chemical Name:
2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid
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Synonyms:
8-chloro-1-(2-(dimethylamino)ethyl)6-phenyl-4H-s-triazolo(4,3-a(1,4)benzodiazepine) p-toluene sulfonate;U 43,465F;U 43465;U 43465F;U-43,465F;U-43465F;83983-74-8;U 43465F;U-43465F;U 43,465F;U-43,465F;U 43465;SCHEMBL10604302;DTXSID701004248;4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-ethanamine, 8-chloro-N,N-dimethyl-6-phenyl-, 4-methylbenzenesulfonate;8-Chloro-1-(2-(dimethylamino)ethyl)6-phenyl-4H-s-triazolo(4,3-a(1,4)benzodiazepine) p-toluene sulfonate;U-43465-F;4-Methylbenzene-1-sulfonic acid--2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethan-1-amine (1/1);8-chloro-1-[2-(dimethylamino)ethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine p-toluenesulfonate
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CAS No:
2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylethanamine;4-methylbenzenesulfonic acid Basic Attributes
538.1 g/mol
537.1601386 g/mol
Drug Information
8-chloro-1-(2-(dimethylamino)ethyl)6-phenyl-4H-s-triazolo(4,3-a(1,4)benzodiazepine) p-toluene sulfonate
Computed Properties
Molecular Weight:538.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:537.1601386
Monoisotopic Mass:537.1601386
Topological Polar Surface Area:109
Heavy Atom Count:37
Complexity:711
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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