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CAS 561-20-6

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Cacotheline

Description:
Cacotheline, with the CAS number 561-20-6, is a chemical compound that belongs to the class of alkaloids. It is primarily derived from the plant species of the genus *Catha*, commonly known for its stimulant properties. Cacotheline is characterized by its complex molecular structure, which includes a bicyclic framework. This compound exhibits psychoactive effects, similar to other alkaloids, and has been studied for its potential impact on the central nervous system. Its solubility properties can vary, often being more soluble in organic solvents than in water. Cacotheline's pharmacological profile suggests it may influence neurotransmitter systems, although detailed studies on its mechanism of action are limited. As with many alkaloids, it is important to handle cacotheline with care due to its biological activity and potential toxicity. Research into its effects and applications continues, particularly in the context of traditional medicine and its implications for health.
Formula:C21H21N3O7
InChI:InChI=1/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)
InChI key:InChIKey=IVEMPCACOMNRGI-OFDJEBHLSA-N
SMILES:C(C(O)=O)[C@H]1[C@]2([C@]3([C@]4(C=5C(N3)=C(N(=O)=O)C(=O)C(=O)C5)[C@]6([N@@](CC4)CC([C@@]2(C6)[H])=CCO1)[H])[H])[H]
Synonyms:
  • (9-Nitro-7,8-Dioxo-15-Oxa-1,11-Diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]Docosa-5,9,17-Trien-14-Yl)Acetic Acid (Non-Preferred Name)
  • (βS,16β)-19,20-Didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-17-norcuran-16-propanoic acid
  • 17-Norcuran-16-propanoic acid, 19,20-didehydro-beta,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (betaS,16beta)-
  • 17-Norcuran-16-propanoic acid, 19,20-didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (βS,16β)-
  • 7,9-Methano-7H-oxepino(3,4-a)pyrrolo(2,3-d)carbazole-13-acetic acid, 2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-1-nitro-2,3-dioxo-, (4bS,7S,7aS,8aR,13S,13aR,13bS)-
  • 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-
  • Ai3-18782
  • Kacotheline
  • Nsc 5069
  • [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]acetic acid (non-preferred name)
  • See more synonyms
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