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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Busulfan-d8 is an Antineoplastic, alkylating agent with antileukemic activity.
| Canonical Smiles | CS(=O)(=O)OCCCCOS(=O)(=O)C |
|---|---|
| IUPAC Name | (1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate |
| InChIKey | COVZYZSDYWQREU-SQUIKQQTSA-N |
| INCHI | 1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3/i3D2,4D2,5D2,6D2 |
| Isomeric SMILES | [2H]C([2H])(C([2H])([2H])C([2H])([2H])OS(=O)(=O)C)C([2H])([2H])OS(=O)(=O)C |
| RTECS | EK1750000 |
| Molecular Weight | 254.35 |
| Reaxy-Rn | 1791786 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791786&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 | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acid esters |
| Alternative Parents | Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H). |
| External Descriptors | Not available |
| Solubility | Soluble in acetone, DMSO, methanol, and water (partly). |
|---|---|
| Refractive Index | n20D1.47 (Predicted) (unlabeled) |
| Melt Point(°C) | 112-114° C |
| Molecular Weight | 254.400 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 254.073 Da |
| Monoisotopic Mass | 254.073 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 8 |
| 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. Jinxingyi Wang, Ruyu Tao, Hanshuai Hu, Xue Lan, Jiejie Gao, Yanping Guan, Qian Liu. (2025) Therapeutic drug monitoring of busulfan and cyclophosphamide in hematologic malignancies: An LC-MS/MS development, validation and application. JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS, [PMID:40759333] [10.1016/j.vascn.2025.108389] |
