Brucine sulfate
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Brucine sulfate
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CAS No:
4845-99-2
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Formula:
C23H26N2O4.1/2H2O4S
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Chemical Name:
Brucine sulfate
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Synonyms:
Strychnidin-10-one,2,3-dimethoxy-,sulfate (2:1);Brucine,sulfate (2:1);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 sulfate;NSC 463;38741-38-7;71908-57-1
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CAS No:
Characteristics
250.07000
4.20310
White Crystalline solid
1.41 g/cm3
~185 °C (dec.)(lit.)
633.7ºC at 760 mmHg
337.1ºC
Safety Information
I
6.1(a)
UN 1544 6.1/PG 2
3
26/28-52/53
13-45-61
T+
|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 156 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H300 (97.67%): Fatal if swallowed [Danger Acute toxicity, oral]|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H300: Fatal if swallowed [Danger Acute toxicity, oral]
Computed Properties
Molecular Weight:492.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:492.15663703
Monoisotopic Mass:492.15663703
Topological Polar Surface Area:134
Heavy Atom Count:34
Complexity:866
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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