(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
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![(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-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/c1fd894815f94cdba289b63aaf938df4.png "(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione")
(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-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:
201338-44-5
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Formula:
C12H13BrN4O4
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Chemical Name:
(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-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 C;Agelastatin C;201338-44-5;Agelastatine C;CHEMBL451275;SCHEMBL16576925;DTXSID50942168;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-5b,8a-dihydroxy-8-methyl-, (5aR-(5aalpha,5bbeta,8abeta,9aalpha))-;1-Bromo-5b,7,8a-trihydroxy-8-methyl-5a,5b,8,8a,9,9a-hexahydroimidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazin-4(5H)-one
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CAS No:
(1R,9R,10R,14S)-3-bromo-10,14-dihydroxy-13-methyl-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione Basic Attributes
357.16 g/mol
356.01202 g/mol
Computed Properties
Molecular Weight:357.16
XLogP3:-1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Exact Mass:356.01202
Monoisotopic Mass:356.01202
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:547
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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