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Mizolastine

CAT: 0572-TRC-M385400-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M385400-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108612-45-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)C5=NC=CC(=O)N5
Molecular Formula
C24 H25 F N6 O
Molecular Weight
432.49
InChI
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
Additionnal Information
IUPAC name: 2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Mizolastine

Mizolastine is a member of benzimidazoles.

CAS Number108612-45-9
PubChem CID65906
IUPAC Name2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
Molecular FormulaC24H25FN6O
Molecular Weight432.5
XLogP3.2
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity728
SMILES
CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C5=NC=CC(=O)N5
InChI
InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
InChIKey
PVLJETXTTWAYEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mizolastine
CAS: 108612-45-9
CID: 65906
Formula: C24H25FN6O
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass432.20738760
Monoisotopic Mass432.20738760
Topological Polar Surface Area65.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity728
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

Alternative Products

CatalogName
017689Mizolastine
B1116-100Mizolastine dihydrochloride
CS-T-103481Mizolastine-d3
HY-B0164R-01Mizolastine (Standard)
HY-B0164AMizolastine (dihydrochloride)
A11724-1000Mizolastine 1g

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