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CAS 2589-47-1

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Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)

Description:
Ajmalanium, specifically identified by its IUPAC name "17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)" and CAS number 2589-47-1, is a chemical compound that belongs to the class of alkaloids, which are naturally occurring organic compounds containing basic nitrogen atoms. This substance is derived from the Ajmaline family, known for its pharmacological properties, particularly in cardiovascular applications. Ajmalanium exhibits a complex structure characterized by multiple hydroxyl groups, which contribute to its solubility and reactivity. The presence of a propyl group and the specific stereochemistry indicated by the (17R,21α) and (2R,3R) descriptors suggest that it may interact with biological systems in a stereospecific manner. Its dihydroxybutanedioate component implies potential interactions with metabolic pathways. Overall, Ajmalanium is of interest in medicinal chemistry due to its potential therapeutic effects, although detailed studies are necessary to fully elucidate its biological activity and mechanisms of action.
Formula:C23H33N2O2·C4H5O6
InChI:InChI=1S/C23H33N2O2.C4H6O6/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t13-,14-,17-,18-,19-,20-,21?,22+,23+,25-;1-,2-/m01/s1
InChI key:InChIKey=VZAUGYDMVQSQAO-CJSYADHKSA-M
SMILES:[C@@H]([C@H](C(O)=O)O)(C([O-])=O)O.OC1[C@]23[C@]([C@]4([N@@+]5(CCC)[C@@](C2)([C@@]1([C@@](C4)([C@H](CC)[C@H]5O)[H])[H])[H])[H])(N(C)C=6C3=CC=CC6)[H]
Synonyms:
  • Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (1:1)
  • Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, salt with (2R,3R)-2,3-dihydroxybutanedioic acid (1:1)
  • Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21α)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • Butanedioic acid, 2,3-dihydroxy-[R-(R*,R*)]-, ion(1-), (17R,21α)-17,21-dihydroxy-4-propylajmalanium
  • 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalanium deriv.
  • N-propylajmalinium hydrogen tartrate
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