cytarabine
structural formula
| business number | 03xc |
|---|---|
| molecular formula | c9h13n3o5 |
| molecular weight | 243.22 |
| label |
sponge cytosine, cytosine-β-d-arabinofuranoside, cytosine arabinoside, 1-β-d-arabinofuranosyl-4-amino-2(1h)-pyrimidinone, arabinocytosine, cytarabine, 4-amino-1-β-d-arabinofuranosyl-2(1h)-pyrimidinone, arabinocytidine, ara-c, cytosine β-d-arabinofuranoside |
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.