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LY171883

CAT: 0013-GTR19276241-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276241-01Size:1 mg
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Description
LY171883 is an orally active leukotriene D4 and E4 antagonist that can be used in asthma research.
CAS Number
88107-10-2
Purity
99.86% (May vary between batches)
Smiles
O=C (C1=CC=C (OCCCCC2=NN=NN2) C (=C1O) CCC) C
Molecular Formula
C16H22N4O3
Molecular Weight
318.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tomelukast

Tomelukast is a member of the class of acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits anti-asthmatic activity. It has a role as a leukotriene antagonist and an anti-asthmatic drug. It is a member of acetophenones, a member of phenols, an aromatic ether and a member of tetrazoles.

CAS Number88107-10-2
PubChem CID3969
IUPAC Name1-[2-hydroxy-3-propyl-4-[4-(2H-tetrazol-5-yl)butoxy]phenyl]ethanone
Molecular FormulaC16H22N4O3
Molecular Weight318.37
XLogP3.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity369
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC2=NNN=N2
InChI
InChI=1S/C16H22N4O3/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15/h8-9,22H,3-7,10H2,1-2H3,(H,17,18,19,20)
InChIKey
MWYHLEQJTQJHSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tomelukast
CAS: 88107-10-2
CID: 3969
Formula: C16H22N4O3
MW: 318.37
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.37
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass318.16919058
Monoisotopic Mass318.16919058
Topological Polar Surface Area101 Ų
Heavy Atom Count23
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C3110-10LY171883

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