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Benazoline oxalate salt

CAT: 0931-T71600-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71600-01Size:25 mg
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CAS Number
1021868-82-5
Target
Others
Related Pathways
Others
Bioactivity
Benazoline oxalate salt is a pharmacological active compound that inhibits casein kinase Iε (CKIε) or CKIδ phosphorylation of the PER2 protein.
Smiles
C(C(O)=O)(O)=O.C1(=CC2=C(C=C1)C=CC=C2)C=3NCCN3
Molecular Formula
C15H14N2O4
Molecular Weight
286.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1H-Imidazole, 4,5-dihydro-2-(2-naphthalenyl)-, ethanedioate (1:1)

See also: Benazoline (annotation moved to).

CAS Number1021868-82-5
PubChem CID60196273
IUPAC Name2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalic acid
Molecular FormulaC15H14N2O4
Molecular Weight286.28
Topological Polar Surface Area99
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity331
SMILES
C1CN=C(N1)C2=CC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H12N2.C2H2O4/c1-2-4-11-9-12(6-5-10(11)3-1)13-14-7-8-15-13;3-1(4)2(5)6/h1-6,9H,7-8H2,(H,14,15);(H,3,4)(H,5,6)
InChIKey
LSGXLXVKKUXDTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazole, 4,5-dihydro-2-(2-naphthalenyl)-, ethanedioate (1:1)
CAS: 1021868-82-5
CID: 60196273
Formula: C15H14N2O4
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass286.09535693
Monoisotopic Mass286.09535693
Topological Polar Surface Area99 Ų
Heavy Atom Count21
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5814138Benazoline oxalate salt
MBS6057656-01N-Depropyl Propafenone Oxalate Salt (N-Desalkylpropafenone Oxalate Salt, N-Despropylpropafenone Oxalate salt)
sc-253176Nafronyl oxalate salt
CS-EK-00587Didesmethylcitalopram oxalate salt
sc-236491Propylhydrazine oxalate salt
AR-N01321-01Nereistoxin (oxalate salt)
456670-01MS049 Oxalate Salt
sc-227346Benzylhydrazine oxalate salt
sc-252530Butylhydrazine oxalate salt
MBS6076856-01N-Depropyl Propafenone-d5 Oxalate Salt (N-Desalkylpropafenone-d5 Oxalate Salt, N-Despropylpropafenone-d5 Oxalate Salt)

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