(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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![(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dcb84444ee3b43909486230ccfcdfd61.png "(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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CAS No:
123064-64-2
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Formula:
C29H33N5O4
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Chemical Name:
(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Synonyms:
123064-64-2;L-7;(11aS,11a'S)-7,7'-(((methylazanediyl)bis(ethane-2,1-diyl))bis(oxy))bis(1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one);SCHEMBL18232120;DTXSID90153852;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7,7'-((methylimino)bis(2,1-ethanediyloxy))bis(1,2,3,11a-tetrahydro-, (11aS,11'aS)-
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CAS No:
(6aS)-2-[2-[2-[[(6aS)-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-2-yl]oxy]ethyl-methylamino]ethoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Basic Attributes
515.6 g/mol
515.25325455 g/mol
DTXSID90153852
Computed Properties
Molecular Weight:515.6
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:515.25325455
Monoisotopic Mass:515.25325455
Topological Polar Surface Area:87
Heavy Atom Count:38
Complexity:855
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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