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Aclatonium (napadisylate)

CAT: 0804-HY-106525Size: 1 EachDry Ice: NoHazardous: No
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Description
Aclatonium napadisylate is a cholinergic agonist. Aclatonium napadisylate can increase amylase release and Ca2+ efflux. Aclatonium napadisylate can stimulate pancreatic exocrine secretion and increase motility and peristalsis of the gastrointestinal tract. Aclatonium napadisylate can be used for the research of gastrointestinal disorders[1].
CAS Number
55077-30-0
UNSPSC
12352005
Target
Cholinesterase (ChE)
Related Pathways
Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
CC(OC(C)=O)C(OCC[N+](C)(C)C)=O.O=S(C1=C2C=CC=C(S(=O)([O-])=O)C2=CC=C1)([O-])=O.[1/2]
Molecular Formula
C10H20NO4.1/2C10H6O6S2
Molecular Weight
504.55
References & Citations
[1]Fujii M, et al. Action of a new cholinergic agonist, aclatonium napadisilate, on isolated rat pancreatic acini. Pancreas. 1990 Jul;5 (4) :427-33.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aclatonium Napadisilate

similar in chem struct to kassein R, component of pueraria root (popular in China & Japan as crude drug)

CAS Number55077-30-0
PubChem CID6918580
IUPAC Namebis(2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium);naphthalene-1,5-disulfonate
Molecular FormulaC30H46N2O14S2
Molecular Weight722.8
Topological Polar Surface Area236
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity655
SMILES
CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
InChI
InChI=1S/2C10H20NO4.C10H8O6S2/c2*1-8(15-9(2)12)10(13)14-7-6-11(3,4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*8H,6-7H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2
InChIKey
HELVYVGHOJPCEV-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Aclatonium Napadisilate
CAS: 55077-30-0
CID: 6918580
Formula: C30H46N2O14S2
MW: 722.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count14
Exact Mass722.23904649
Monoisotopic Mass722.23904649
Topological Polar Surface Area236 Ų
Heavy Atom Count48
Formal Charge0
Complexity655
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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