(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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![(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f006b740d458408dae8000c22c0a18a3.png "(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one")
(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
structure -
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CAS No:
59593-12-3
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Formula:
C14H16N2O4
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Chemical Name:
(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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Synonyms:
59593-12-3;5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,11a-tetrahydro-8-hydroxy-3,7-dimethoxy-, (3S-trans)-;3-O-Methylneothramycin A;DTXSID20208263;1,2,3,11a-Tetrahydro-8-hydroxy-3,7-dimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one (3S-trans)-
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CAS No:
(6aS,9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Basic Attributes
276.29 g/mol
276.11100700 g/mol
DTXSID20208263
Computed Properties
Molecular Weight:276.29
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:276.11100700
Monoisotopic Mass:276.11100700
Topological Polar Surface Area:71.4
Heavy Atom Count:20
Complexity:414
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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