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QAQ dichloride

CAT: 0013-GTR19199742-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199742-01Size:50 mg
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Description
QAQ dichloride is a membrane-impermeant, photoswitchable sodium and potassium channel blocker. Its activity is specific to the trans-azobenzene form, enabling light-controlled analgesia and providing a tool for pain research in vitro and in vivo.
CAS Number
1204416-85-2
Field of Research
Pharmacology & Drug Discovery
Smiles
[N+] (CC (NC1=CC=C (N=NC2=CC=C (NC (C[N+] (CC) (CC) CC) =O) C=C2) C=C1) =O) (CC) (CC) CC
Molecular Formula
C28H44N6O2
Molecular Weight
496.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

QAQ dichloride
CAS Number1204416-85-2
PubChem CID91826091
IUPAC Nametriethyl-[2-oxo-2-[4-[[4-[[2-(triethylazaniumyl)acetyl]amino]phenyl]diazenyl]anilino]ethyl]azanium dichloride
Molecular FormulaC28H44Cl2N6O2
Molecular Weight567.6
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count38
Formal Charge0
Complexity614
SMILES
CC[N+](CC)(CC)CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)C[N+](CC)(CC)CC.[Cl-].[Cl-]
InChI
InChI=1S/C28H42N6O2.2ClH/c1-7-33(8-2,9-3)21-27(35)29-23-13-17-25(18-14-23)31-32-26-19-15-24(16-20-26)30-28(36)22-34(10-4,11-5)12-6;;/h13-20H,7-12,21-22H2,1-6H3;2*1H
InChIKey
VHURBRSYOFCHNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of QAQ dichloride
CAS: 1204416-85-2
CID: 91826091
Formula: C28H44Cl2N6O2
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight567.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass566.2902801
Monoisotopic Mass566.2902801
Topological Polar Surface Area82.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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