5-(2-Bromoethyl)-2'-deoxyuridine
Basic information
- CAS
90301-64-7- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1CCBr- InChIKey
ARAPHVJYXVDNPN-YIZRAAEISA-N- Molecular formula
- C11H15BrN2O5
- Average molar mass
- 335.15 g/mol
- Monoisotopic mass
- 334.01643
Overview
RN not in Chemline 2/86; RN from Toxline
Names & identifiers
- Preferred name
- 5-(2-Bromoethyl)-2'-deoxyuridine
- IUPAC
- 5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
BEUdR90301-64-75-(2-Bromoethyl)-2'-deoxyuridineRefChem:10158790301-65-85-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneCHEMBL2114969DTXSID509204665-(2-Bromo-ethyl)-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dioneUridine, 5-(2-bromoethyl)-2'-deoxy-5-(2-Bromoethyl)-1-(2-deoxypentofuranosyl)-4-hydroxypyrimidin-2(1H)-one5-(2-Bromoethyl)-1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-4-hydroxypyrimidin-2(1H)-one
Show more names
5-(2-bromoethyl)-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
90301-64-7、90301-65-8- PubChem CID
- 128987
- DTXSID
DTXSID50920466- ChEMBL
CHEMBL2114969
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that inhibit cell production of DNA or RNA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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