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Thalifendine chloride

CAT: 1410-M39510Size: 1 EachDry Ice: NoHazardous: No
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Description
Thalifendine chloride
CAS Number
4668-19-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Thalifendine chloride
CAS Number4668-19-3
PubChem CID5321913
IUPAC Name16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-17-ol chloride
Molecular FormulaC19H16ClNO4
Molecular Weight357.8
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity474
SMILES
COC1=C(C=CC2=CC3=[N+](CCC4=CC5=C(C=C43)OCO5)C=C21)O.[Cl-]
InChI
InChI=1S/C19H15NO4.ClH/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21;/h2-3,6-9H,4-5,10H2,1H3;1H
InChIKey
QKDAYMOWDPMRHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalifendine chloride
CAS: 4668-19-3
CID: 5321913
Formula: C19H16ClNO4
MW: 357.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass357.0767857
Monoisotopic Mass357.0767857
Topological Polar Surface Area51.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity474
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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