≥90%(Mixture of Diastereomers) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Mafosfamide Sodium Salt is a cyclophosphamide analog which induces apoptosis in lymphoblastoid cells. It also acts as an antitumor agent in vitro.
| Canonical Smiles | C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl |
|---|---|
| IUPAC Name | 2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid |
| InChIKey | PBUUPFTVAPUWDE-UHFFFAOYSA-N |
| INCHI | 1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17) |
| Isomeric SMILES | C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl |
| Molecular Weight | 423.25 |
| Reaxy-Rn | 6071638 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6071638&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 nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Nitrogen mustard compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrogen mustard compounds |
| Alternative Parents | Phosphoric monoester diamides Oxazaphosphinanes Sulfonyls Organosulfonic acids Alkanesulfonic acids Sulfenyl compounds Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Nitrogen mustard - Phosphoric monoester diamide - Organic phosphoric acid derivative - Oxazaphosphinane - Organic phosphoric acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Oxacycle - Dialkylthioether - Organohalogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organochloride - Organopnictogen compound - Alkyl chloride - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO, and methanol. |
|---|---|
| Sensitivity | Hygroscopic |
| Refractive Index | n20D1.57 (Predicted) |
| Melt Point(°C) | >85°C (dec.) |
| Molecular Weight | 401.300 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 399.985 Da |
| Monoisotopic Mass | 399.985 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
A2416470