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Losartan Carboxaldehyde

CAT: 0607-C3539-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C3539-5Size:5 mg
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Description
inhibits endothelial cyclooxygenase (COX)-2 expression
CAS Number
114798-36-6
Product Name Alternative
2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxaldehyde
Sequence
DuP-167|EXP3179
Field of Research
Neuroscience COX
Purity
≥95.00%
Form
A crystalline solid
Solubility
≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
[H]N1N=NN=C1C2=CC=CC=C2C3=CC=C(CN4C(C([H])=O)=C(Cl)N=C4CCCC)C=C3
Molecular Formula
C22H21ClN6O
Molecular Weight
420.9
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Losartan carboxaldehyde

E-3179 is an organic molecular entity.

CAS Number114798-36-6
PubChem CID9802264
IUPAC Name2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Molecular FormulaC22H21ClN6O
Molecular Weight420.9
XLogP4.9
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity546
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
InChIKey
FQZSMTSTFMNWQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Losartan carboxaldehyde
CAS: 114798-36-6
CID: 9802264
Formula: C22H21ClN6O
MW: 420.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.9
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass420.1465370
Monoisotopic Mass420.1465370
Topological Polar Surface Area89.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity546
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