Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C Ships Hielo húmedo Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
La monocrotalina es un alcaloide tóxico de pirrolizidina. Se utiliza para inducir enfermedades pulmonares en ratas. El alcaloide provoca hipertensión arterial pulmonar, hipertrofia ventricular derecha y cambios patológicos en la vasculatura pulmonar.
Alcaloide pirrolizidínico tóxico
| Pubchem Sid | 488180976 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180976 |
| Sonrisas canónicas | CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O |
| IUPAC Name | (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione |
| InChIKey | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| INCHI | 1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
| Isómeros SMILES | C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O |
| WGK Alemania | 3 |
| RTECS | QB3140000 |
| Número ONU | 1544 |
| Peso molecular | 325.36 |
| Beilstein | 48732 |
| Reaxy-Rn | 628332 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=628332&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolizines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolizines |
| Alternative Parents | N-alkylpyrrolidines Dicarboxylic acids and derivatives Tertiary alcohols Pyrrolines Trialkylamines Lactones Carboxylic acid esters Amino acids and derivatives 1,2-diols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Pyrrolizine - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Pyrroline - Tertiary alcohol - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolizines. These are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring. |
| External Descriptors | Pyrrolizidine alkaloids |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 29, 2026 | C101556 | |
| Certificate of Analysis | Jun 29, 2026 | C101556 | |
| Certificate of Analysis | Sep 28, 2025 | C101556 | |
| Certificate of Analysis | Sep 28, 2025 | C101556 | |
| Certificate of Analysis | Apr 10, 2025 | C101556 | |
| Certificate of Analysis | Apr 10, 2025 | C101556 | |
| Certificate of Analysis | Sep 03, 2024 | C101556 | |
| Certificate of Analysis | Sep 03, 2024 | C101556 | |
| Certificate of Analysis | Jun 22, 2024 | C101556 | |
| Certificate of Analysis | Jun 22, 2024 | C101556 | |
| Certificate of Analysis | Jan 03, 2024 | C101556 | |
| Certificate of Analysis | Jan 03, 2024 | C101556 | |
| Certificate of Analysis | Jan 03, 2024 | C101556 | |
| Certificate of Analysis | Sep 18, 2023 | C101556 | |
| Certificate of Analysis | Sep 18, 2023 | C101556 | |
| Certificate of Analysis | Apr 10, 2023 | C101556 | |
| Certificate of Analysis | Apr 10, 2023 | C101556 | |
| Certificate of Analysis | Apr 10, 2023 | C101556 | |
| Certificate of Analysis | Apr 09, 2023 | C101556 | |
| Certificate of Analysis | Apr 09, 2023 | C101556 | |
| Certificate of Analysis | Apr 09, 2023 | C101556 | |
| Certificate of Analysis | May 09, 2022 | C101556 |
| Punto de fusión (°C) | 204°C |
|---|---|
| Peso molecular | 325.360 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 325.153 Da |
| Monoisotopic Mass | 325.153 Da |
| Topological Polar Surface Area | 96.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 575.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Haixia Che, Jie Yi, Xiaoting Zhao, Hong Yu, Xianyao Wang, Rui Zhang, Xin Li, Jia Fu, Qian Li. (2023) Characterization of PKCα-rutin interactions and its application as a treatment strategy for PAH by inhibiting ferroptosis. Food & Function, [PMID:38126185] [10.1039/D3FO01306E] |
| 2. Yanhui Ge, Shuchang Zhao, Boyi Yuan, Yuan Gao, Ruilin Liu. (2023) In-situ growth of metal coordination-synergistic imprinted polymer onto shrimp shell-derived magnetic FeNi biochar for specific recognition of monocrotaline in herbal medicine. Materials Today Sustainability, [PMID:] [10.1016/j.mtsust.2023.100599] |
| 3. Yang Zhong, Jiayu Gu, Yaoquan Su, Lingzhi Zhao, Yunyun Zhou, Juanjuan Peng. (2021) Real-time screening of hepatotoxins in natural medicine by peroxynitrite responsive lanthanide-based NIR-II luminescent probes. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2021.133263] |
| 4. Mingyan Ji, Yun Chen, Yifan Ma, Dongping Li, Jin Ren, Hongyue Jiang, Sinuo Chen, Xiaoqing Zeng, Hong Gao. (2024) ADAMTS13 Improves Hepatic Platelet Accumulation in Pyrrolizidine Alkaloids-induced Liver Injury. Journal of Clinical and Translational Hepatology, 13 (1): (25). [PMID:39801786] [10.14218/JCTH.2024.00233] |
| 5. Min Fu, Yuan Li, Jingjing Liu, Junjie Liu, Jiaoxia Wei, Yuxin Qiao, Hanxin Zhong, Dongyang Han, Haitao Lu, Li Yao. (2024) Zhishi Xiebai Guizhi Decoction modulates hypoxia and lipid toxicity to alleviate pulmonary vascular remodeling of pulmonary hypertension in rats. Chinese Medicine, [PMID:39696593] [10.1186/s13020-024-01039-0] |
| 6. Wencheng Liu, Yanbin Cheng, Xue Han, Junlin Xia, Qingyu Wei, Bing Chang, Quansheng Li. (2025) Rivaroxaban alleviates hepatic sinusoidal obstruction syndrome in mice by modulating the gut microbiota and inhibiting the PI3K/Akt signaling pathway. Frontiers in Microbiology, [PMID:40919202] [10.3389/fmicb.2025.1607131] |
| 7. Sinuo Chen, Yifan Ma, Mingyan Ji, Heming Wang, Yun Chen, Dongping Li, Hongyue Jiang, Guangqi Song, Jinglin Xia, Hong Gao. (2025) Phosphocreatine alleviates monocrotaline-induced liver injury dependent on PSRC1-regulated endoplasmic reticulum stress. BIOCHEMICAL PHARMACOLOGY, [PMID:40194605] [10.1016/j.bcp.2025.116915] |
| 8. Yanhui Ge, Xinya Xu, Yubo Liu, Chengyu Huang, Jiajun Zhu. (2025) Development of a novel in-vivo analysis for monocrotaline based on adenine-coated hollow eggshell-like mesoporous carbon@silica nanoparticles. Results in Chemistry, [PMID:] [10.1016/j.rechem.2025.102813] |
| 9. Haixia Che, Jie Yi, Jiawen Li, Yue Hu, Di Gao, Huiru Fu, Qiao Li, Zejun Li, Yu Xiao, Qing Li, Qian Li. (2026) Unveiling the protective mechanisms of Pipa Qingfei Decoction in pulmonary arterial hypertension: Insights from network pharmacology, metabolomics and Mendelian randomization. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:41619862] [10.1016/j.jep.2026.121287] |