Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-05 23:30:44 UTC |
---|
Updated at | 2022-09-05 23:30:44 UTC |
---|
NP-MRD ID | NP0221832 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | ipratropium |
---|
Description | Ipratropium belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane. ipratropium is found in Apis cerana. It was first documented in 2022 (PMID: 35965822). Based on a literature review a significant number of articles have been published on ipratropium (PMID: 35860074) (PMID: 35838014) (PMID: 35832532) (PMID: 35781234). |
---|
Structure | CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21+ |
---|
Synonyms | Not Available |
---|
Chemical Formula | C20H30NO3 |
---|
Average Mass | 332.4630 Da |
---|
Monoisotopic Mass | 332.22202 Da |
---|
IUPAC Name | (1R,3R,5S,8S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium |
---|
Traditional Name | ipratropium |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1 |
---|
InChI Identifier | InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21+ |
---|
InChI Key | OEXHQOGQTVQTAT-JRNQLAHRSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane. |
---|
Kingdom | Organic compounds |
---|
Super Class | Alkaloids and derivatives |
---|
Class | Tropane alkaloids |
---|
Sub Class | Not Available |
---|
Direct Parent | Tropane alkaloids |
---|
Alternative Parents | |
---|
Substituents | - Tropane alkaloid
- Beta-hydroxy acid
- Monocyclic benzene moiety
- Hydroxy acid
- Piperidine
- N-alkylpyrrolidine
- Benzenoid
- Tetraalkylammonium salt
- Pyrrolidine
- Quaternary ammonium salt
- Carboxylic acid ester
- Carboxylic acid derivative
- Organoheterocyclic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Amine
- Organic nitrogen compound
- Primary alcohol
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Alcohol
- Organic salt
- Carbonyl group
- Organic oxygen compound
- Organic cation
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Huang Y, Long R, Tang Y, Li J, Meng L, Yang J, Qiu F: Effects of 4-DAMP on allergic rhinitis in guinea pigs and its potential mechanism. Ann Transl Med. 2022 Jul;10(14):774. doi: 10.21037/atm-22-2998. [PubMed:35965822 ]
- Yadav GK, Keshari B, Rohita DK, Mandal KC, Bogati S, Mishra DR: A case report of secondary spontaneous pneumothorax in acute exacerbation of COPD managed with improvised chest tube drain. Ann Med Surg (Lond). 2022 Jun 25;79:104064. doi: 10.1016/j.amsu.2022.104064. eCollection 2022 Jul. [PubMed:35860074 ]
- Pang JC, Vasudev M, Du AT, Nottoli MM, Dang K, Kuan EC: Intranasal Anticholinergics for Treatment of Chronic Rhinitis: Systematic Review and Meta-Analysis. Laryngoscope. 2022 Jul 15. doi: 10.1002/lary.30306. [PubMed:35838014 ]
- Dong Y, Li Q: Compound Ipratropium Bromide plus Budesonide Inhalation in the Treatment of Acute Exacerbation of Chronic Obstructive Pulmonary Disease and Its Effect on Heparin-Binding Protein. Evid Based Complement Alternat Med. 2022 Jul 4;2022:4457740. doi: 10.1155/2022/4457740. eCollection 2022. [PubMed:35832532 ]
- Nayir Buyuksahin H, Emiralioglu N, Ademhan Tural D, Ozsezen B, Sunman B, Guzelkas I, Yalcin E, Dogru D, Ozcelik U, Kiper N: The Importance of Flexible Bronchoscopy in Difficult-to-treat Asthma from a Pediatric Pulmonology Perspective. Turk Arch Pediatr. 2022 May;57(3):310-315. doi: 10.5152/TurkArchPediatr.2022.21315. [PubMed:35781234 ]
- LOTUS database [Link]
|
---|