≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
Product Describtion:
Semustine is a methylated derivative of Carmustine with a structure similar to Lomustine and a member of the antineoplastic nitrosourea compounds. Semustine can perform both alkylating and carabamoylating action and owes part of its cytotoxicity to its demonstrated ability to produce interstrand DNA cross linking. The compound is very lippophilic and due to this property distributes quickly among tissues.
Product Application：
Commonly used in pharmacological studies involving:
Nutrient-sensitized screening for drugs that shift the energy metabolism from mitchondrial respiration to glycolysis；
CEOP regimen with semustine used as induction chemotherapy in patients with lymphoma；
Investigations into its use for chemotherapy
| Pubchem Sid | 488179885 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179885 |
| Canonical Smiles | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
| IUPAC Name | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea |
| InChIKey | FVLVBPDQNARYJU-UHFFFAOYSA-N |
| INCHI | 1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15) |
| Isomeric SMILES | CC1CCC(CC1)NC(=O)N(CCCl)N=O |
| WGK Germany | 3 |
| RTECS | YS5000000 |
| PubChem CID | 5198 |
| UN Number | 3249 |
| Packing Group | II |
| Molecular Weight | 247.72 |
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 carbonic acids and derivatives |
| Subclass | Ureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrosoureas |
| Alternative Parents | Semicarbazides Nitrosamides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Nitrosourea - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Organic nitroso compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Organic nitrogen compound - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrosoureas. These are compounds containing a nitro group and an urea group N-N linked together, with the general structure R1N(R2)C(=O)N(R3)N=O. |
| External Descriptors | organochlorine compound - N-nitrosoureas |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2319115 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319121 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319136 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319138 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319140 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319142 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319151 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| D2319153 | Certificate of Analysis | Feb 05, 2026 | S340465 |
| Molecular Weight | 247.720 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.109 Da |
| Monoisotopic Mass | 247.109 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
