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Epsiprantel

CAT: 0013-GTR19197675-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197675-01Size:1 mg
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Description
Epsiprantel
CAS Number
98123-83-2
Product Name Alternative
Epsiprantel
Field of Research
Infectious Disease & Virology
Purity
98.09% (May vary between batches)
Smiles
O=C1N2CCCC=3C=CC=CC3C2CN (C (=O) C4CCCCC4) C1
Molecular Formula
C20H26N2O2
Molecular Weight
326.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epsiprantel

RN given refers to cpd without isomeric designation

CAS Number98123-83-2
PubChem CID72026
IUPAC Name2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
Molecular FormulaC20H26N2O2
Molecular Weight326.4
XLogP3
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity486
SMILES
C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCCN3C(=O)C2
InChI
InChI=1S/C20H26N2O2/c23-19-14-21(20(24)16-8-2-1-3-9-16)13-18-17-11-5-4-7-15(17)10-6-12-22(18)19/h4-5,7,11,16,18H,1-3,6,8-10,12-14H2
InChIKey
LGUDKOQUWIHXOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epsiprantel
CAS: 98123-83-2
CID: 72026
Formula: C20H26N2O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass326.199428076
Monoisotopic Mass326.199428076
Topological Polar Surface Area40.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-U00045-01Epsiprantel

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