benzomalvin C
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benzomalvin C
structure -
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CAS No:
157047-98-8
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Formula:
C24H17N3O3
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Chemical Name:
benzomalvin C
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Synonyms:
benzomalvin C;6/"-methyl-3-phenylspiro[oxirane-2,7/"-quinazolino[3,2-a][1,4]benzodiazepine]-5/",13/"-dione;Benzomalvin C_120256;6"-methyl-3-phenyl-13"h-spiro[oxirane-2,7"-quinazolino[3,2-a][1,4]benzodiazepine]-5",13"(6"h)-dione;CTK4C9257;DTXSID40935600;Spiro[oxirane-2,7"(13"H)-quinazolino[3,2-a][1,4]benzodiazepine]-5",13"(6"H)-dione,6"-methyl-3-phenyl-, (2R,3S)-rel-(+)- (9CI)
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CAS No:
Characteristics
65.5
2.8
1.41±0.1 g/cm3(Predicted)
646.2±65.0 °C(Predicted)
344.6ºC
1.736
-20°C
1.38E-16mmHg at 25°C
Safety Information
UN 2811 6.1 / PGIII
3
25-50
45-61
T,N
P264, P270, P273, P301+P310, P321, P330, P391, P405, P501
H301
Computed Properties
Molecular Weight:395.4
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:395.12699141
Monoisotopic Mass:395.12699141
Topological Polar Surface Area:65.5
Heavy Atom Count:30
Complexity:776
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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