≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504771805 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771805 |
| Canonical Smiles | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O |
| IUPAC Name | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid |
| InChIKey | HOBWAPHTEJGALG-JKCMADFCSA-N |
| INCHI | 1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16?; |
| Isomeric SMILES | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O |
| Molecular Weight | 676.82 |
| Reaxy-Rn | 5720678 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5720678&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 | Alkaloids and derivatives |
| Class | Tropane alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropane alkaloids |
| Alternative Parents | Beta hydroxy acids and derivatives Piperidines Benzene and substituted derivatives Organic sulfate salts N-alkylpyrrolidines Quaternary ammonium salts Organic sulfuric acids and derivatives Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organopnictogen compounds Primary alcohols |
| Molecular Framework | Not available |
| Substituents | Tropane alkaloid - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Piperidine - Organic sulfate salt - Benzenoid - N-alkylpyrrolidine - Organic sulfuric acid or derivatives - Pyrrolidine - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound 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. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2229037 | Certificate of Analysis | Sep 08, 2025 | A333140 |
| K2229038 | Certificate of Analysis | Sep 08, 2025 | A333140 |
| K2229101 | Certificate of Analysis | Sep 08, 2025 | A333140 |
| D2401055 | Certificate of Analysis | Oct 09, 2022 | A333140 |
| F2510006 | Certificate of Analysis | Oct 09, 2022 | A333140 |
| Melt Point(°C) | 50.0° C |
|---|---|
| Molecular Weight | 676.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 676.303 Da |
| Monoisotopic Mass | 676.303 Da |
| Topological Polar Surface Area | 183.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
| 1. Yusheng Zhang, Xiaoyang Wu, Jie Ding, Borui Su, Zhihong Chen, Zhanwen Xiao, Chengheng Wu, Dan Wei, Jing Sun, Fang Luo, Huabing Yin, Hongsong Fan. (2023) Wireless-Powering Deep Brain Stimulation Platform Based on 1D-Structured Magnetoelectric Nanochains Applied in Antiepilepsy Treatment. ACS Nano, [PMID:37530448] [10.1021/acsnano.3c03661] |
| 2. Liang Meng, Pinjia Meng, Bugang Tang, Qingqing Zhang, Yanji Wang. (2013) Molecularly imprinted photonic hydrogels for fast screening of atropine in biological samples with high sensitivity. FORENSIC SCIENCE INTERNATIONAL, [PMID:23890610] [10.1016/j.forsciint.2013.04.008] |
| 3. Amin Zhang, Chongchong Miao, Hongyuan Shi, Hongkun Xiang, Chusen Huang, Nengqin Jia. (2015) A novel solid-state electrochemiluminescence sensor for atropine determination based on Ru(bpy)32+/carbon nanospheres/Nafion composite film. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2015.08.075] |
| 4. Ming Shao, Yu Chai, Yutong Jiang, Xinyi Wu, Wenjie Xie, Jiayi Lu, Xuehui Fu, Yao He, Xiaofeng Zhang, Han Zhang, Zhuang Liu. (2025) Eye-Drop Nano-Formulation of Catalase Self-Assembled with Thiolated Chitosan for Effective Treatment of Dry Eye Disease. ADVANCED MATERIALS, 37 (19): (2415353). [PMID:40123221] [10.1002/adma.202415353] |
| 5. Zhiqin Liu, Yufeng Xu, Wei Liu, Lin Wang, Zhen Dong, Jianguo Zeng. (2025) Macleaya cordata protopine total alkaloids as potential treatment for diarrhoea: Mechanistic insights and target identification. RESEARCH IN VETERINARY SCIENCE, [PMID:40184723] [10.1016/j.rvsc.2025.105633] |
| 6. Jinqiu Xu, Peipei Lu, Liangliang Cai, Wenyi Wu, Qing Zhu, Xiaofei Ma. (2025) Novel Y-shaped nanomicelles based on γ-cyclodextrin as chiral selector and pseudostationary phase for enantioseparation in capillary electrophoresis. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.116487] |
