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Chemical structure of (E)-5-(2-Bromovinyl)uracil

GC41702

(E)-5-(2-Bromovinyl)uracil

Also known as 5-[(E)-2-bromoethenyl]-1H-pyrimidine-2,4-dione

(E)-5-(2-Bromovinyl)uracil (BVU) is a pyrimidine base and an inactive metabolite of the antiviral agents sorivudine and (E)-5-(2-bromovinyl)-2'-deoxyuridine (BVDU) that may be regenerated to BVDU in vivo

ChemicalCAS69304-49-0MW217FormulaC6H5BrN2O2
CAS number
69304-49-0
Molecular weight
217
Formula
C6H5BrN2O2
Solubility
DMF： 60 mg/mL,DMSO： 53 mg/mL,Ethanol： 0·8 mg/mL,PBS (pH 7·2)： 8 mg/mL
InChIKey
BLXGZIDBSXVMLU-OWOJBTEDSA-N
Catalogue number
GC41702
Brand
GLPBIO
Computed properties PubChem CID 688297 · XLogP 0.1 · TPSA 58.2 Ų · H-bond donors 2
XLogP
0.1
TPSA
58.2 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

SMILES C1=C(C(=O)NC(=O)N1)/C=C/Br

Computed descriptors from PubChem (CID 688297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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