Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Penciclovir is a purine acyclic nucleoside analogue with potent antiviral activity.
A purine acyclic nucleoside analogue with potent antiviral activity
| ALogP | -1.9 |
|---|
| Canonical Smiles | C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N |
|---|---|
| IUPAC Name | 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one |
| InChIKey | JNTOCHDNEULJHD-UHFFFAOYSA-N |
| INCHI | 1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) |
| Isomeric SMILES | C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N |
| WGK Germany | 3 |
| Alternate CAS | 97845-62-0 |
| Molecular Weight | 253.26 |
| Reaxy-Rn | 4501039 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4501039&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 |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Purinones |
| Direct Parent | Hypoxanthines |
| Alternative Parents | 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | 2-aminopurines - propane-1,3-diols |
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| Sensitivity | Heat sensitive |
|---|---|
| Melt Point(°C) | 278 °C |
| Molecular Weight | 253.260 g/mol |
| XLogP3 | -1.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 253.117 Da |
| Monoisotopic Mass | 253.117 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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. Zhongmin Wang, Ying Li, Taotao Peng, Ying Su, Xiaoting Luo, Wanjun Han, Hongjian Zhang, Jianqing Ruan, Chunshan Gui. (2021) Human Organic Anion Transporting Polypeptides 1B1, 1B3, and 2B1 Are Involved in the Hepatic Uptake of Phenolsulfonphthalein. ACS Omega, [PMID:34984313] [10.1021/acsomega.1c06163] |
| 2. Qi Tian, Peng Quan, Liang Fang, Hui Xu, Chao Liu. (2021) A molecular mechanism investigation of the transdermal/topical absorption classification system on the basis of drug skin permeation and skin retention. INTERNATIONAL JOURNAL OF PHARMACEUTICS, [PMID:34506925] [10.1016/j.ijpharm.2021.121082] |
| 3. Haoran Wang, Tong Xu, Shuaishuai Xin, Guocheng Liu, Qinghua Yan, Dong Ma, Yanlong Sun, Chengzhi Zhou, Yanjun Xin, Ya-nan Zhang. (2025) Nucleoside structure promotes the degradation of antiviral drugs in simulated sunlight-activated periodate system. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2025.133922] |
| 4. Zijun Dong, Zhihao Han, Lulu Zhang, Xiaohui Sun, Chenyu Wang, Yifeng Yang. (2026) Fate and Ecological Risk Assessment of Antiviral Drugs in Multiprocess Wastewater Treatment Plants and Adjacent Watersheds: A Case Study in Shenzhen, China. ACS ES&T Water, [PMID:] [10.1021/acsestwater.5c01216] |