Amifostine Trihydrate

Basic Information

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CAS Number

112901-68-5

Molecular Formula

C5H21N2O6PS

Molecular Weight

268.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

white solid powder

Boiling Point

441.7 °C at 760 mmHg

Density

1.367

Flash Point

220.9 °C

SMILES

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C(CN)CNCCSP(=O)(O)O.O.O.O

InChI

InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2

InChIKey

TXQPXJKRNHJWAX-UHFFFAOYSA-N

LogP

0.64900

pKa

pKa1 <2.0; pKa2 4.2; pKa3 9.0; pKa4 11.7(at 25℃)

Complexity

152

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AMIFOSTINE [MART.]
AMIFOSTINE TRIHYDRATE [MI]
Ethyol trihydrate
AMIFOSTINE [USAN]
CCG-267130
UNII-M487QF2F4V
S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate, trihydrate
Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester),trihydrate
Amifostinetrihydrateormonohydrate
Q47495771
AMIFOSTINE TRIHYDRATE [WHO-DD]
112901-68-5
2-(3-aminopropylamino)ethylsulfanylphosphonic acid;trihydrate
Amifostine [USAN:USP:INN:BAN]
M487QF2F4V
Amifostine (USP)
DTXSID40150210
Amifostine, United States Pharmacopeia (USP) Reference Standard
AMIFOSTINE [VANDF]
AKOS015901630
Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate
112901-68-5 (trihydrate)
FT-0622271
WR-2721 TRIHYDRATE
Anifostine trihydrate
S-(2-((3-aminopropyl)amino)ethyl) O,O-dihydrogen phosphorothioate trihydrate
AC-6800
S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate
Amifostine trihydrate, >=97% (TLC), powder
Amifostine trihydrate
D00226

MDL Number

MFCD00453866

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Amifostine Trihydrate (CAS: 112901-68-5)?

Amifostine trihydrate is a crystalline compound with a molecular weight of approximately 422.52 g/mol. It is slightly soluble in water and has a low reactivity under normal conditions. Amifostine trihydrate has a melting point of about 145°C and is stable under normal laboratory conditions.

How is Amifostine Trihydrate (CAS: 112901-68-5) typically synthesized?

Amifostine trihydrate is synthesized through a multi-step process involving the formation of amifostine from ethyl 4-((2-aminoethoxy)methyl)-2,2-dimethyl-1,3-propanediol and its subsequent hydration to form the trihydrate form. The synthesis typically involves esterification, reduction, and dehydration steps, with high yield and selectivity.

What industries use Amifostine Trihydrate (CAS: 112901-68-5)?

Amifostine trihydrate is primarily used in the pharmaceutical industry, particularly in the treatment of radiation-induced side effects in cancer patients. It is also used in the medical field for radioprotective purposes. While it is not commonly used in industries such as polymers, sensors, or semiconductors, its applications are expanding in the pharmaceutical sector.

What precautions should be taken when handling Amifostine Trihydrate (CAS: 112901-68-5)?

When handling amifostine trihydrate, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, it should be cleaned up carefully with appropriate spill kits. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.