Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ 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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Capecitabine is a tumor-selective fluoropyrimidine carbamate which achieves higher intratumoral 5-FU level with lower toxicity than 5-FU.
An antiproliferative 5-fluorouracil releasing compound
| ALogP | 0.6 |
|---|
| Pubchem Sid | 488183411 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183411 |
| Canonical Smiles | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O |
| IUPAC Name | pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate |
| InChIKey | GAGWJHPBXLXJQN-UORFTKCHSA-N |
| INCHI | 1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1 |
| Isomeric SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O |
| WGK Germany | 3 |
| Alternate CAS | 154361-50-9 |
| MeSH Entry Terms | capecitabine;N(4)-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine;Xeloda |
| Molecular Weight | 359.35 |
| Reaxy-Rn | 12681864 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12681864&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 | Nucleosides, nucleotides, and analogues |
| Class | 5'-deoxyribonucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 5'-deoxyribonucleosides |
| Alternative Parents | Glycosylamines Pyrimidones Halopyrimidines Aryl fluorides Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. |
| External Descriptors | organofluorine compound - carbamate ester - cytidines |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | C124969 | |
| Certificate of Analysis | Apr 21, 2026 | C124969 | |
| Certificate of Analysis | Apr 06, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Apr 03, 2026 | C124969 | |
| Certificate of Analysis | Dec 12, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Aug 11, 2025 | C124969 | |
| Certificate of Analysis | Jan 10, 2025 | C124969 | |
| Certificate of Analysis | Jan 10, 2025 | C124969 | |
| Certificate of Analysis | Jul 09, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Apr 02, 2024 | C124969 | |
| Certificate of Analysis | Mar 08, 2024 | C124969 | |
| Certificate of Analysis | Nov 10, 2023 | C124969 | |
| Certificate of Analysis | Jul 12, 2022 | C124969 | |
| Certificate of Analysis | Dec 21, 2021 | C124969 |
| Solubility | Soluble in water (26 mg/ml), ethanol (207 mg/ml), methanol (> 40%), DMF (~14 mg/ml), and DMSO (72 mg/ml at 25 °C). |
|---|---|
| Sensitivity | heat sensitive |
| Specific Rotation[α] | 98° (C=1,MeOH) |
| Melt Point(°C) | 123 °C(dec.) |
| Molecular Weight | 359.350 g/mol |
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 359.149 Da |
| Monoisotopic Mass | 359.149 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 582.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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. Zhu Yan, Ding Zhechun, Wang Yini, Wu Qing, Chen Dongmei, Wang Luanhong, Li Yuancheng, Yao Yao, Huang Jiman, Li Yun, Wang Xiaojing, Lin Yanchun, Guan Tian, Zeng Haoyu, Li Congzhu. (2023) BME-free primary patient-specific organoids obtained with a one-day mimicking method to replicate the corresponding tumor for personalized treatment options. Frontiers in Oncology, [PMID:38162496] [10.3389/fonc.2023.1239957] |
| 2. Ming Liu, Ran Cen, Ji-Hong Lu, Tie-Hong Meng, Chun-Rong Li, Carl Redshaw, Timothy J. Prior, Zhu Tao, Xin Xiao. (2022) Cucurbit[6]uril-based carbon dots for recognizing L-tryptophan and capecitabine. Materials Chemistry Frontiers, 6 (19): (2859-2868). [PMID:] [10.1039/D2QM00589A] |
| 3. Hanwen Liu, Ying Liu, Ting Zhou, Penghui Zhou, Jianguo Li, Anping Deng. (2022) Ultrasensitive and Specific Detection of Anticancer Drug 5-Fluorouracil in Blood Samples by a Surface-Enhanced Raman Scattering (SERS)-Based Lateral Flow Immunochromatographic Assay. MOLECULES, 27 (13): (4019). [PMID:35807264] [10.3390/molecules27134019] |
| 4. Ting Zhou, Guangzhao He, Changjia Hu, Kang Wu, Ying Liu, Jianguo Li, Anping Deng. (2022) Development of a highly sensitive and specific monoclonal antibody-based ELISA coupled with immuno-affinity extraction for the detection of anticancer drug 5-fluorouracil in blood samples. TALANTA, [PMID:35696979] [10.1016/j.talanta.2022.123655] |
| 5. Zhouxuan Xiang, Ting Liu, Huimin Wang, Genxin Chen, Xiongbin Zhu, Tonghui Hao, Jiabing Ran, Changying Yang. (2022) Rational design of a supramolecular hydrogel with customizable pH-responsiveness on the basis of pH-induced ionization/protonation transition of BSA. Soft Matter, 18 (16): (3157-3167). [PMID:35380147] [10.1039/D1SM01589C] |
| 6. Shaoyu Tang, Lei Xu, Xiaolong Yu, Shuona Chen, Huanyong Li, Ying Huang, Junfeng Niu. (2020) Degradation of anticancer drug capecitabine in aquatic media by three advanced oxidation processes: Mechanisms, toxicity changes and energy cost evaluation. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2020.127489] |
| 7. Yiren Yang, Pengyu Liu, Yue Jin, Huilin Zhu, Miao Wang, Xiaowen Jiang, Huiyuan Gao. (2024) A combined treatment with Ursolic acid and Solasodine inhibits colorectal cancer progression through the AKT1/ERK1/2-GSK-3β-β-catenin axis. PHYTOMEDICINE, [PMID:39515101] [10.1016/j.phymed.2024.156068] |
| 8. Chensi Zeng, Yanfang Gong, Chenxi Qi, Xianghua Zeng, Ni Tan. (2024) A smart capecitabine imprinted nanocontainer with the dual-responsive performance to pH/NIR light. Materials Today Communications, [PMID:] [10.1016/j.mtcomm.2024.109940] |
| 9. Shuliang Song, Xiao Zhang, Lei Cui, Yan Wang, Xiao Tian, Ke Wang, Kai Ji. (2024) Mechanisms of lipopolysaccharide protection in tumor drug–induced macrophage damage. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38522696] [10.1016/j.ijbiomac.2024.131006] |
| 10. Yuteng Tang, Yuanhang Xiang, Yu Yang, Yuyuan Zhang, Binqi Wei, Xiaojie Qin, Min Fang, Qiqin Wang, Xinchun Li, Fan Yang. (2024) Nanostructured Bubbles-Enhanced Fluorescence for Ultrasensitive Portable MicroRNA Detection. ADVANCED FUNCTIONAL MATERIALS, [PMID:] [10.1002/adfm.202413832] |
| 11. Xinqi Qiu, Minhui Zhang, Yan Liu, Mingao Li, Quanzhou Wu, Jianfeng He. (2024) Novel water-compatible surface molecularly imprinted polymer microspheres based on boronate affinity and hydrophilic coating for efficient enrichment and separation of capecitabine from urine samples. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2024.111289] |
| 12. Wei Xie, Xue-Jian Li, Yu-Sen Zhong, Jie Fang, Hui Qi, Meng Yang, Hua-Zhong Ying, Chen-Huan Yu. (2025) Ginsenoside F4 inhibits colorectal cancer progression by boosting dendritic cell maturation and remodeling the tumor microenvironment. World Journal of Gastrointestinal Oncology, 17 (9): (108892). [PMID:40977662] [10.4251/wjgo.v17.i9.108892] |
| 13. Sai-Nan Qin, Yi-Xue Zhang, Yi-Jie Cao, Ting Wan, Yi-Yang Zhou, Shan-Shan Su, Yu-Qiong Guo, Jian-Jun Sun, Kalle Salminen. (2026) A self-assembled electrochemical aptasensor for one-step rapid detection of cisplatin in blood via aptamer conformational change. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2026.116962] |
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