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Isamfazone

CAT: 0013-GTR19199118-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199118-02Size:50 mg
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Description
Isamfazone is a chemical tool used in pharmacological research, specifically in studies involving substituted pyridazones. It serves as a screening compound for identifying novel anti-inflammatory agents in both in vitro and in vivo experimental models.
CAS Number
55902-02-8
Smiles
C (C (N (C (CC1=CC=CC=C1) C) C) =O) N2N=C (C=CC2=O) C3=CC=CC=C3
Molecular Formula
C22H23N3O2
Molecular Weight
361.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isamfazone

RN given refers to cpd with unspecified stereochemistry; structure in Negwer, 5th ed, #4839

CAS Number55902-02-8
PubChem CID68753
IUPAC NameN-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Molecular FormulaC22H23N3O2
Molecular Weight361.4
XLogP3.4
Topological Polar Surface Area53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity586
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C22H23N3O2/c1-17(15-18-9-5-3-6-10-18)24(2)22(27)16-25-21(26)14-13-20(23-25)19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3
InChIKey
JKNDAGNFBPJGEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isamfazone
CAS: 55902-02-8
CID: 68753
Formula: C22H23N3O2
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass361.17902698
Monoisotopic Mass361.17902698
Topological Polar Surface Area53 Ų
Heavy Atom Count27
Formal Charge0
Complexity586
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
HY-118737Isamfazone

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