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Lonazolac

CAT: 0127-BUP10402-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10402-04Size:50 mg
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CAS Number
53808-88-1
Purity
=95%
Smiles
C(C(O)=O)C=1C(=NN(C1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3

Chemical Information

Lonazolac

Lonazolac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an antineoplastic agent. It is a monocarboxylic acid, a member of pyrazoles and a member of monochlorobenzenes. It is functionally related to an acetic acid. It is a conjugate acid of a lonazolac(1-).

CAS Number53808-88-1
PubChem CID68706
IUPAC Name2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetic acid
Molecular FormulaC17H13ClN2O2
Molecular Weight312.7
XLogP3.6
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity379
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)O
InChI
InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
InChIKey
XVUQHFRQHBLHQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lonazolac
CAS: 53808-88-1
CID: 68706
Formula: C17H13ClN2O2
MW: 312.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight312.7
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass312.0665554
Monoisotopic Mass312.0665554
Topological Polar Surface Area55.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity379
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
M28394-01Lonazolac
HY-137149Lonazolac (hemicalcium)
T27844-01Lonazolac Calcium

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