Rutaecarpine
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Rutaecarpine
structure -
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CAS No:
84-26-4
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Formula:
C18H13N3O
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Chemical Name:
Rutaecarpine
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Synonyms:
Indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13-dihydro-;Rutecarpine;8,13-Dihydroindolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one;Rutaecarpine;Rhetine;NSC 258317;3,13,21-Triazapentacyclo[11.8.0.0[2,10].0[4,9].0[15,20]]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one
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CAS No:
Description
Rutaecarpine, an alkaloid of Evodia rutaecarpa, is an inhibitor of COX-2 with an IC50 value of 0.28 μM.
Solid
Rutecarpine is a member of beta-carbolines.
Characteristics
48.5
3
white solid
1.5±0.1 g/cm3
260 °C
550.1ºC at 760 mmHg
286.5±32.9 °C
1.792
DMSO: 18 mg/mL clear yellow solution, soluble
2-8°C
Safety Information
III
6.1
UN 2811 6.1/PG 3
3
25-36/37/38
45-36-26
NM3454000
T
Stable at normal temperatures and pressures.
P264, P270, P301+P310, P301+P312, P321, P330, P405, P501
H300
Not Classified
Drug Information
Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)
Rutaecarpine has known human metabolites that include 11-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 3-Hydroxyrutaecarpine, 5-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, 6-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, 7-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one, and 8-Hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one.
rutaecarpine
Computed Properties
Molecular Weight:287.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:287.105862047
Monoisotopic Mass:287.105862047
Topological Polar Surface Area:48.5
Heavy Atom Count:22
Complexity:517
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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