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Zileuton

CAT: 1596-AR-Z01074-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01074-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111406-87-2
Synonyms
1- (1- (benzo[b]thiophen-2-yl) ethyl) -1-hydroxyurea;1-[1- (1-Benzothiophen-2-yl) ethyl]-1-hydroxyurea; A 64077; Abbott 64077; Griluto-CR; Leutrol; N- (1-Benzo[b]thien-2-ylethyl) -N-hydroxyurea; Zileuton; Zyflo
Molecular Formula
C11H12N2O2S
Molecular Weight
236.29
API Name
Zileuton

Chemical Information

Zileuton

Zileuton can cause cancer, developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number111406-87-2
PubChem CID60490
IUPAC Name1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
Molecular FormulaC11H12N2O2S
Molecular Weight236.29
XLogP1.6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O
InChI
InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChIKey
MWLSOWXNZPKENC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zileuton
CAS: 111406-87-2
CID: 60490
Formula: C11H12N2O2S
MW: 236.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.29
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass236.06194880
Monoisotopic Mass236.06194880
Topological Polar Surface Area94.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2314-25Zileuton

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