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Liarozole hydrochloride

CAT: 0024-sc-204055Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204055Size:10 mg
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CAS Number
145858-50-0

Chemical Information

Liarozole hydrochloride

Liarozole Hydrochloride is the fumarate salt of an orally-active benzimidazole derivative with potential antineoplastic activity. As a retinoic acid metabolism blocking agent (RAMBA), liarozole inhibits cytochrome P450-dependent all-trans-retinoic acid (ATRA)-4-hydroxylase, resulting in an increase in endogenous ATRA production, inhibition of cell proliferation, and induction of cell differentiation. This agent also inhibits aromatase, the enzyme that catalyzes the final, rate-limiting step in estrogen biosynthesis.

CAS Number145858-50-0
PubChem CID71454
IUPAC Name6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole;hydrochloride
Molecular FormulaC17H14Cl2N4
Molecular Weight345.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4.Cl
InChI
InChI=1S/C17H13ClN4.ClH/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);1H
InChIKey
OTSZCHORPMQCBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Liarozole hydrochloride
CAS: 145858-50-0
CID: 71454
Formula: C17H14Cl2N4
MW: 345.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass344.0595519
Monoisotopic Mass344.0595519
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
255684-01Liarozole hydrochloride
HY-106019ALiarozole (hydrochloride)
BA7265-5Liarozole
MBS3846277-01Liarozole dihydrochloride
MBS5775446Liarozole HCl
MBS5775445Liarozole fumarate
HY-106019BLiarozole (fumarate)
HY-106019C-01Liarozole (dihydrochloride)

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