(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
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![(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e6d7a37d22c9475ea6887393cc3ade8d.png "(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione")
(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
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CAS No:
201338-45-6
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Formula:
C11H11BrN4O3
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Chemical Name:
(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
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Synonyms:
Agelastatin D;201338-45-6;Agelastatine D;Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-;CHEMBL517037;SCHEMBL16566495;DTXSID30173953;Imidazo(4',5':4,5)cyclopenta(1,2-e)pyrrolo(1,2-a)pyrazine-4,7-dione, 1-bromo-5,5a,5b,6,8,8a,9,9a-octahydro-8a-hydroxy-, (5aS-(5aalpha,5bbeta,8abeta,9aalpha))-
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CAS No:
(1R,9S,10S,14S)-3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione Basic Attributes
327.13 g/mol
326.00145 g/mol
DTXSID30173953
Computed Properties
Molecular Weight:327.13
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:3
Exact Mass:326.00145
Monoisotopic Mass:326.00145
Topological Polar Surface Area:95.4
Heavy Atom Count:19
Complexity:475
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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