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Semustine - 98%, high purity , CAS No.13909-09-6

COA

Grade & Purity:

≥98%

Cas Number: 13909-09-6
Molecular Weight: 247.72
PubChem CID: 5198
PubChem SID: 488179885

In stock

Item Number

S340465

Grouped product items
SKU	Size	Availability	Price
S340465-5mg	5mg	3	$474.90
S340465-25mg	25mg	3	$2,137.90
S340465-100mg	100mg	4	$7,695.90
S340465-250mg	250mg	2	$17,313.90

an alkylating agent and interstrand DNA cross linker

View related series

Cell Cycle/DNA Damage (2602) DNA Alkylator/Crosslinker (72) DNA Damage (697)

Basic Description

Synonyms	KBioSS_001815 \| Lomustine, methyl \| Methyl-CCNU [Chloroethyl nitrosoureas] \| Q1230937 \| NSC135091 \| NSC-135091 \| Semustine (USAN/INN) \| Semustinum [INN-Latin] \| SPBio_000782 \| Spectrum2_000911 \| trans-Methyl CCNU \| FVLVBPDQNARYJU-UHFFFAOYSA-N \| NCGC000950
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic carbonic acids and derivatives
    - Subclass Ureas

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488179885
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179885
IUPAC Name	1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea
INCHI	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)
InChIKey	FVLVBPDQNARYJU-UHFFFAOYSA-N
Smiles	CC1CCC(CC1)NC(=O)N(CCCl)N=O
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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8 results found

Lot Number	Certificate Type	Date	Item
D2319142	Certificate of Analysis	Mar 25, 2023	S340465
D2319140	Certificate of Analysis	Mar 25, 2023	S340465
D2319138	Certificate of Analysis	Mar 25, 2023	S340465
D2319153	Certificate of Analysis	Mar 25, 2023	S340465
D2319121	Certificate of Analysis	Mar 25, 2023	S340465
D2319136	Certificate of Analysis	Mar 25, 2023	S340465
D2319151	Certificate of Analysis	Mar 25, 2023	S340465
D2319115	Certificate of Analysis	Mar 25, 2023	S340465

Chemical and Physical Properties

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 Å²
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

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