4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-b-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

• Synonyms:

  β-Decitabine-3',5'-bis(4-chlorobenzoate); Decitabine USP Related Compound B

• Hazard Statement:

  Harmful if swallowed.

• Smiles:

  NC1=NC(=O)N(C=N1)[C@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@@H](COC(=O)c4ccc(Cl)cc4)O2

• Molecular Formula:

  C22 H18 Cl2 N4 O6

• Molecular Weight:

  505.308

• InChI:

  InChI=1S/C22H18Cl2N4O6/c23-14-5-1-12(2-6-14)19(29)32-10-17-16(34-20(30)13-3-7-15(24)8-4-13)9-18(33-17)28-11-26-21(25)27-22(28)31/h1-8,11,16-18H,9-10H2,(H2,25,27,31)/t16-,17+,18+/m0/s1

• Additionnal Information:

  IUPAC name: [(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  1034301-08-0