Record Information |
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Version | 1.0 |
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Created at | 2023-07-13 15:47:39 UTC |
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Updated at | 2024-05-12 18:38:53 UTC |
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NP-MRD ID | NP0331721 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Isopaynantheine-N(4)-oxide |
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Description | It was first documented in 2022 (PMID: 36153150). Based on a literature review a significant number of articles have been published on 3-Isopaynantheine N-oxide (PMID: 36153149) (PMID: 36153148) (PMID: 36153147) (PMID: 36153146) (PMID: 36153145) (PMID: 36153144). |
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Structure | [H][C@]12C[C@@H]([C@H](C[N+]1([O-])CCC1=C2NC2=CC=CC(OC)=C12)C=C)C(=C/OC)\C(=O)OC InChI=1S/C23H28N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19+,25?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H28N2O5 |
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Average Mass | 412.4860 Da |
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Monoisotopic Mass | 412.19982 Da |
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IUPAC Name | (2S,3R,12bR)-2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethenyl-8-methoxy-1H,2H,3H,4H,5H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-5-ium-5-olate |
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Traditional Name | (2S,3R,12bR)-2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethenyl-8-methoxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-5-ium-5-olate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@@H]([C@H](C[N+]1([O-])CCC1=C2NC2=CC=CC(OC)=C12)C=C)C(=C/OC)\C(=O)OC |
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InChI Identifier | InChI=1S/C23H28N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19+,25?/m0/s1 |
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InChI Key | OJKYJWDFFASHGX-YOOCQZJISA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | n_oberli@uncg.edu | Not Available | Not Available | 2023-07-13 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | n_oberli@uncg.edu | Not Available | Not Available | 2023-07-13 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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General References | - Goddard C, Collopy KT, Powers Iv WF: Prehospital Hypertonic Saline Administration After Severe Traumatic Brain Injury. Air Med J. 2022 Sep-Oct;41(5):498-502. doi: 10.1016/j.amj.2022.04.004. Epub 2022 May 31. [PubMed:36153150 ]
- Lai J, Kuttab H, Newberry R, Stader M, Cathers A: Prehospital Ultrasound Use to Guide Resuscitative Thoracotomy in Blunt Traumatic Cardiac Arrest. Air Med J. 2022 Sep-Oct;41(5):494-497. doi: 10.1016/j.amj.2022.06.003. Epub 2022 Jul 2. [PubMed:36153149 ]
- Foorman B, Utarnachitt RB, Danielson K, Brookie T, Henry L, Latimer A: Prolonged Use of an Extraglottic Airway During Air Medical Transport From a Remote Alaskan Island. Air Med J. 2022 Sep-Oct;41(5):491-493. doi: 10.1016/j.amj.2022.06.004. Epub 2022 Jul 15. [PubMed:36153148 ]
- Campbell A, Ascenzi J, Busch DW: An Integrative Review Regarding Knowledge and Self-Competency of Pediatric and Neonatal Critical Care Transport Nurses. Air Med J. 2022 Sep-Oct;41(5):484-490. doi: 10.1016/j.amj.2022.06.006. Epub 2022 Jul 31. [PubMed:36153147 ]
- Florez-Perdomo WA, Garcia-Ballestas E, Konar SK, Ramos-Gomez L, Al-Mufti F, Sursal T, Munakomi S, Agrawal A, Moscote-Salazar LR: Effect of Helicopter Transportation of Acute Ischemic Stroke Patients on Mortality and Functional Outcomes: A Systematic Review and Meta-Analysis. Air Med J. 2022 Sep-Oct;41(5):476-483. doi: 10.1016/j.amj.2022.07.001. Epub 2022 Aug 12. [PubMed:36153146 ]
- Arnoux B, Corcostegui SP, Gillard J, Travers S, Boutonnet M, Lecuyer T, Carfantan C, Luft A: Level of Onboard Care for Critical Patients: Analysis of the French Armed Forces Air Medical Evacuations From the Sahel Since 2013. Air Med J. 2022 Sep-Oct;41(5):473-475. doi: 10.1016/j.amj.2022.04.010. Epub 2022 Jun 3. [PubMed:36153145 ]
- Renkiewicz GK, Hubble MW: Secondary Traumatic Stress in Emergency Services Systems Project: Quantifying the Effect of Personal Trauma Profiles on Lifetime Prevalence of Suicidality in Emergency Medical Services Personnel. Air Med J. 2022 Sep-Oct;41(5):463-472. doi: 10.1016/j.amj.2022.04.002. Epub 2022 Jun 12. [PubMed:36153144 ]
- Kirby K, Caswell K, Petheram J, Hyde P, Crouch R: Mapping the Patient and Family Liaison Role in UK Helicopter Emergency Medical Services: A Service Evaluation. Air Med J. 2022 Sep-Oct;41(5):458-462. doi: 10.1016/j.amj.2022.04.003. Epub 2022 May 28. [PubMed:36153143 ]
- Nawrocki PS, Mulcahy B, Shukis M, Poremba M: Prehospital Use of Whole Blood for Ill and Injured Patients During Critical Care Transport. Air Med J. 2022 Sep-Oct;41(5):451-457. doi: 10.1016/j.amj.2022.05.003. Epub 2022 Jun 18. [PubMed:36153142 ]
- Collopy K, Zimmerman L, Westmoreland AM, Powers WF 4th: Prehospital Administration of Cefazolin in Trauma Patients. Air Med J. 2022 Sep-Oct;41(5):447-450. doi: 10.1016/j.amj.2022.06.001. Epub 2022 Jul 9. [PubMed:36153141 ]
- Flores-Bocanegra L, Raja HA, Graf TN, Augustinovic M, Wallace ED, Hematian S, Kellogg JJ, Todd DA, Cech NB, Oberlies NH: The Chemistry of Kratom [Mitragyna speciosa]: Updated Characterization Data and Methods to Elucidate Indole and Oxindole Alkaloids. J Nat Prod. 2020 Jul 24;83(7):2165-2177. doi: 10.1021/acs.jnatprod.0c00257. Epub 2020 Jun 29. [PubMed:32597657 ]
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