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Tribendimidine

CAT: 0013-GTR19243917-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19243917-02Size:1 g
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Description
Tribendimidine is an orally active, broad-spectrum anthelmintic agent, with particularly high activity against A. lumbricoides and N. americanus. Tribendimidine is also an L-type nicotinic acetylcholine receptor (nAChR) agonist.
CAS Number
115103-15-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (110.48 mM; Ultrasonic; (HCL , pH≈3) ; )
Smiles
CN (C) C (\C) =N\c1ccc (cc1) \N=C\c1ccc (\C=N\c2ccc (cc2) \N=C (/C) N (C) C) cc1
Molecular Formula
C28H32N6
Molecular Weight
452.59
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Tribendimidine

See also: Tribendimidine (annotation moved to).

CAS Number115103-15-6
PubChem CID3086564
IUPAC NameN'-[4-[[4-[[4-[1-(dimethylamino)ethylideneamino]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-N,N-dimethylethanimidamide
Molecular FormulaC28H32N6
Molecular Weight452.6
XLogP3.8
Topological Polar Surface Area55.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity651
SMILES
CC(=NC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)N=C(C)N(C)C)N(C)C
InChI
InChI=1S/C28H32N6/c1-21(33(3)4)31-27-15-11-25(12-16-27)29-19-23-7-9-24(10-8-23)20-30-26-13-17-28(18-14-26)32-22(2)34(5)6/h7-20H,1-6H3
InChIKey
XOIOGKHKNQYULW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tribendimidine
CAS: 115103-15-6
CID: 3086564
Formula: C28H32N6
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass452.26884505
Monoisotopic Mass452.26884505
Topological Polar Surface Area55.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity651
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

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