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Rutaecarpine

Rutaecarpine structure

Rutaecarpine 

structure
  • CAS No:

    84-26-4

  • Formula:

    C18H13N3O

  • Chemical Name:

    Rutaecarpine

  • 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

  • Categories:

    Biochemical Engineering  >  Chinese Herbs

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.

Rutaecarpine Basic Attributes

287.32

287.32

1308068-626-2

8XZV289PRY

258317

DTXSID00232884

29339900

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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