Brucine N-oxide
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Brucine N-oxide
structure -
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CAS No:
17301-81-4
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Formula:
C23H26N2O5
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Chemical Name:
Brucine N-oxide
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Synonyms:
Strychnidin-10-one,2,3-dimethoxy-,19-oxide;Brucine,19-oxide;Brucine N-oxide;4,6-Methano-6H,14H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline,strychnidin-10-one deriv.;Brucine Nb-oxide;NSC 118057;NSC 118079
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CAS No:
Safety Information
I
6.1(a)
2811
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P284, P301+P310, P304+P340, P310, P320, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:410.5
XLogP3:0.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:410.18417193
Monoisotopic Mass:410.18417193
Topological Polar Surface Area:66.1
Heavy Atom Count:30
Complexity:832
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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