{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["78(Pt 10)"],"submitter":["Naeem M"],"pubmed_abstract":["The solid-state structures of two solvated forms of 4-glutarato-<i>N</i>,<i>N</i>-diiso-propyl-tryptamine were determined by single-crystal X-ray diffraction, namely, 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1<i>H</i>-indol-4-yl)oxy]-5-oxopentanoate meth-anol monosolvate, C<sub>21</sub>H<sub>30</sub>N<sub>2</sub>O<sub>4</sub>·CH<sub>3</sub>OH, and the analogous ethanol monosolvate, C<sub>21</sub>H<sub>30</sub>N<sub>2</sub>O<sub>4</sub>·C<sub>2</sub>H<sub>6</sub>O. In both compounds, the 4-glutarato-<i>N</i>,<i>N</i>-di-iso--pro-pyl-tryptamine exists as a zwitterion with a protonated tertiary ammonium and a deprotonated glutarato carboxyl-ate. The tryptamine zwitterions and alcohol solvates in both structures combine to produce near identical hydrogen-bonding networks, with N-H⋯O and O-H⋯"],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1034-1038"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9535823"],"repository":["biostudies-literature"],"pubmed_title":["The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diiso-propyl-tryptamine."],"pmcid":["PMC9535823"],"pubmed_authors":["Bauer BE","Manke DR","Chadeayne AR","Naeem M","Golen JA"],"additional_accession":[]},"is_claimable":false,"name":"The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diiso-propyl-tryptamine.","description":"The solid-state structures of two solvated forms of 4-glutarato-<i>N</i>,<i>N</i>-diiso-propyl-tryptamine were determined by single-crystal X-ray diffraction, namely, 5-[(3-{2-[bis(propan-2-yl)azaniumyl]ethyl}-1<i>H</i>-indol-4-yl)oxy]-5-oxopentanoate meth-anol monosolvate, C<sub>21</sub>H<sub>30</sub>N<sub>2</sub>O<sub>4</sub>·CH<sub>3</sub>OH, and the analogous ethanol monosolvate, C<sub>21</sub>H<sub>30</sub>N<sub>2</sub>O<sub>4</sub>·C<sub>2</sub>H<sub>6</sub>O. In both compounds, the 4-glutarato-<i>N</i>,<i>N</i>-di-iso--pro-pyl-tryptamine exists as a zwitterion with a protonated tertiary ammonium and a deprotonated glutarato carboxyl-ate. The tryptamine zwitterions and alcohol solvates in both structures combine to produce near identical hydrogen-bonding networks, with N-H⋯O and O-H⋯","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Oct","modification":"2025-04-18T22:37:07.384Z","creation":"2025-04-07T10:23:00.918Z"},"accession":"S-EPMC9535823","cross_references":{"pubmed":["36250122"],"doi":["10.1107/S2056989022009094"]}}