Brivudine

CAT: 0926-NB03851-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-NB03851-04Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

69304-47-8

Synonyms

5- (E) - (2-Bromovinyl) -2'-deoxyuridine

MDL Number

MFCD00058585

Smiles

C1[C@@H] ([C@H] (O[C@H]1N2C=C (C (=O) NC2=O) /C=C/Br) CO) O

Molecular Formula

C11H13BrN2O5

Molecular Weight

333.14 g/mol

Controlled

Chemical Information

Brivudine

Brivudine is used in the treatment of herpes zoster. Although not approved in the U.S. or Canada, it is approved in several European countries.

CAS Number	69304-47-8
PubChem CID	446727
IUPAC Name	5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C11H13BrN2O5
Molecular Weight	333.13
XLogP	-0.4
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	450

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O

InChI

InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1

InChIKey

ODZBBRURCPAEIQ-PIXDULNESA-N

Chemical Structure

2D Structure

CAS: 69304-47-8

CID: 446727

Formula: C11H13BrN2O5

MW: 333.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	333.13
XLogP3	-0.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	332.00078
Monoisotopic Mass	332.00078
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	450
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes