IUPAC name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Compound class
Antineoplastic Agents; Antiviral Agents; Immunosuppressive Agents; Antimetabolites; Antimetabolites, Antineoplastic; Antineoplastic and Immunomodulating Agents; Pyrimidine Analogues; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of acute non-lymphocytic leukemia, acute lymphocytic leukemia and blast phase of chronic myelocytic leukemia.
Common name
Cytarabine
IUPAC name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
INCHI
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
FORMULA
C9H13N3O5
Common name
Cytarabine
IUPAC name
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Molecular weight
243.217
clogP
-2.252
clogS
1.313
HBond Acceptor
6
HBond Donor
5
Total Polar Surface Area
130.83
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00249 | (3R,4R)-tetrahydrofuran-3,4-diol |
|
O1CC(C(C1)O)O | 0.0024 |
