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Liarozole dihydrochloride

CAT: 1568-C12039-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C12039-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883548-96-6
Target
P450 (e.g. CYP17)
Applications
Metabolism
Smiles
Cl.Cl.ClC1=CC=CC (=C1) C ([N]2C=CN=C2) C3=CC4=C (C=C3) N=C[NH]4
Molecular Formula
C17H15Cl3N4
Additionnal Information
Liarozole Dihydrochloride is identified as a modest inhibitor of P450 with IC50 of 2.2–6.0 μM and 260 nM for CYP26 and rat CYP17 respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Liarozole dihydrochloride
CAS Number1883548-96-6
PubChem CID121513844
IUPAC Name6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole;dihydrochloride
Molecular FormulaC17H15Cl3N4
Molecular Weight381.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity380
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4.Cl.Cl
InChI
InChI=1S/C17H13ClN4.2ClH/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15;;/h1-11,17H,(H,20,21);2*1H
InChIKey
NKDMRTVUEJWCCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Liarozole dihydrochloride
CAS: 1883548-96-6
CID: 121513844
Formula: C17H15Cl3N4
MW: 381.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass380.036230
Monoisotopic Mass380.036230
Topological Polar Surface Area46.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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