Basic information
- CAS
879492-57-6- Standard SMILES
CS(=O)(=O)O.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1- InChIKey
CLSXTOVZZQEQIL-FPKZOZHISA-N- Molecular formula
- C9H16N4O7S
- Average molar mass
- 324.31 g/mol
- Monoisotopic mass
- 324.07397004
Names & identifiers
- Preferred name
- Decitabine Mesylate
- IUPAC
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;methanesulfonic acid
Names & synonyms
decitabine mesylate879492-57-66U3LPL9PRN1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-, monomethanesulfonateRefChem:131320UNII-6U3LPL9PRNorb3236794SCHEMBL3394791GLXC-267684-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;methanesulfonic acidQ272655291,3,5-TRIAZIN-2(1H)-ONE, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-, MONOMETHANESULFONATE
Show more names
4-Amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one mesylate
Database identifiers
- CAS
879492-57-6- PubChem CID
- 11631196
- UNII
- 6U3LPL9PRN
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Antimetabolites that are useful in cancer chemotherapy.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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