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