cytarabine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:147-94-4

mdl number:mfcd00066487

einecs number:205-705-9

rtecs number:ha5425000

brn number:none

pubchem number:24892435

physical property data

1. properties: white or off-white crystalline powder

2. melting point (℃): 214

3. density: 1.89g/cm3

4. solubility: soluble in water.

toxicological data

1. reproductive toxicity: rat abdominal tdlo: 100 mg/kg; rat abdominal tdlo: 20 mg/kg

ecological data

other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 52.64

2. molar volume (cm³/mol): 128.4

3. isotonic specific volume (90.2k ): 395.1

4. surface tension (dyne/cm): 89.5

5. polarizability (10^-24cm³): 20.86

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 4

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 129

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 383

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 4

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

storage method

save at 2-8ºc.

synthesis method

after hydrolysis of 5-cytosine nucleotide, cytosine nucleoside is obtained, which is then chlorinated, epoxidized and hydrolyzed in ammonia water, and finally formed into a salt.

purpose

anti-neoplastic drugs, used for acute myelitiscellular leukemia and acute lymphoblastic leukemia, etc. has antiviral effects.