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R 59494

CAT: 0013-GTR19198690-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198690-02Size:50 mg
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Description
R 59494 is a novel small molecule compound with anti-ischemic properties, intended for research use. It is applicable for investigating ischemia-related pathologies in both cellular (in vitro) and animal (in vivo) experimental models within cardiovascular and neuroprotection research fields.
CAS Number
136917-41-4
Smiles
CN (C1=NC2=CC=CC=C2S1) C3=CN (C=C3) CCCCOC4=CC=CC=C4
Molecular Formula
C22H23N3OS
Molecular Weight
377.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

R 59494

structural homolog of R 56865

CAS Number136917-41-4
PubChem CID132007
IUPAC NameN-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine
Molecular FormulaC22H23N3OS
Molecular Weight377.5
XLogP5.4
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity445
SMILES
CN(C1=CN(C=C1)CCCCOC2=CC=CC=C2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C22H23N3OS/c1-24(22-23-20-11-5-6-12-21(20)27-22)18-13-15-25(17-18)14-7-8-16-26-19-9-3-2-4-10-19/h2-6,9-13,15,17H,7-8,14,16H2,1H3
InChIKey
PFBZXLGUUGDBNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of R 59494
CAS: 136917-41-4
CID: 132007
Formula: C22H23N3OS
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass377.15618354
Monoisotopic Mass377.15618354
Topological Polar Surface Area58.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity445
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

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Alternative Products

CatalogName
HY-114691R 59494

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