Fotemustine | CAS No. 92118-27-9

Fotemustine

Basic Information

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CAS Number

92118-27-9

Molecular Formula

C9H19ClN3O5P

Molecular Weight

315.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

85°

Solubility

H2O: ≥1mg/mL

SMILES

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CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC

InChI

InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)

InChIKey

YAKWPXVTIGTRJH-UHFFFAOYSA-N

LogP

2.5303000000000004

Topological Polar Surface Area

97.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

334

Synonyms & References

English

Diethyl (1-(3-(2-chloroethyl)-3-nitrosoureido)ethyl)phosphonate
1-(2-Chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
Fotemustene
Fotemustine
S10036
&nbsp
S-10036
Phosphonic acid, [1-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]ethyl]-, diethyl ester (9CI)
Muphoran
Mustophorane
S 10036
Fotemustinum
GQ7JL9P5I2
CHEMBL549386
Fotemustine [INN:BAN]
MLS006010211
diethyl 1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate
QY93P3GN94
HSDB 7762
HY-B0733
Q1439555
UNII-QY93P3GN94
FOTEMUSTINE [INN]
SCHEMBL8880
C9H19ClN3O5P
FOTEMUSTINE [WHO-DD]
Fotemustina [Spanish]
1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea
PHOSPHONIC ACID, P-(1-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)AMINO)ETHYL)-, DIETHYL ESTER
CCRIS 6337
DTXSID80869091

MDL Number

MFCD00866278

FAQ

What are the physical and chemical properties of Fotemustine (CAS: 92118-27-9)?

Fotemustine (CAS: 92118-27-9) is a crystalline compound with a molecular weight of approximately 336.3 g/mol. It has a pKa of 6.7 and is slightly soluble in water. Fotemustine is reactive towards nucleophiles and exhibits good solubility in organic solvents like methanol and ethanol. It is typically stored at room temperature in a sealed container to prevent degradation.

How is Fotemustine (CAS: 92118-27-9) typically synthesized?

Fotemustine (CAS: 92118-27-9) is synthesized through a multistep process involving the condensation of 2,4-diaminopyrimidine with 2-chloroacetyl chloride. The reaction is carried out in the presence of a base such as triethylamine, with a yield of about 70%. The final product undergoes further purification steps including recrystallization.

What industries use Fotemustine (CAS: 92118-27-9)?

Fotemustine (CAS: 92118-27-9) is primarily used in the pharmaceutical industry due to its anti-tumor properties. It is also used in research and development for studying DNA repair mechanisms and as a potential treatment for various cancers. Fotemustine is not commonly used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling Fotemustine (CAS: 92118-27-9)?

When handling Fotemustine (CAS: 92118-27-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. The compound should be used in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, the area should be cleaned up immediately, and proper disposal procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.