Tegafur

CAT: 0127-BUP14723-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14723-02Size:50 mg

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

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CAS Number

17902-23-7

Synonyms

Fluorafur, FT-207, NSC 148958, FT 207

Purity

=98%

Smiles

O=C1N(C=C(F)C(=O)N1)C2CCCO2

Chemical Information

Tegafur

Tegafur is an organohalogen compound and a member of pyrimidines.

CAS Number	17902-23-7
PubChem CID	5386
IUPAC Name	5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
Molecular Formula	C8H9FN2O3
Molecular Weight	200.17
XLogP	-0.3
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	316

SMILES

C1CC(OC1)N2C=C(C(=O)NC2=O)F

InChI

InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)

InChIKey

WFWLQNSHRPWKFK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17902-23-7

CID: 5386

Formula: C8H9FN2O3

MW: 200.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.17
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	200.05972032
Monoisotopic Mass	200.05972032
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP04606-01	Tegadifur