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Ambutonium bromide

CAT: 0804-HY-U00067-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-U00067-02Size:100 mg
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Description
Ambutonium bromide is an acetylcholine antagonist.
CAS Number
115-51-5
Product Name Alternative
BL700
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Ambutonium_(bromide).html
Solubility
10 mM in DMSO
Smiles
C[N+](C)(CC)CCC(C1=CC=CC=C1)(C(N)=O)C2=CC=CC=C2.[Br-]
Molecular Formula
C20H27BrN2O
Molecular Weight
391.35
References & Citations
[1]Southgate PJ. Central and peripheral actions of the acetylcholine antagonist, ambutonium bromide. Arch Int Pharmacodyn Ther. 1972 Apr;196 (2) :376-82.|[2]SCHWARTZ IR, et al. The effect of ambutonium bromide, a new anticholinergic agent in ulcer therapy. Am J Gastroenterol. 1960 Jun;33:704-17.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzenepropanaminium, gamma-(aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenyl-, bromide (1:1)
CAS Number115-51-5
PubChem CID8276
IUPAC Name(4-amino-4-oxo-3,3-diphenylbutyl)-ethyl-dimethylazanium bromide
Molecular FormulaC20H27BrN2O
Molecular Weight391.3
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity361
SMILES
CC[N+](C)(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N.[Br-]
InChI
InChI=1S/C20H26N2O.BrH/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3,(H-,21,23);1H
InChIKey
VTAGVKVPFBOVRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenepropanaminium, gamma-(aminocarbonyl)-N-ethyl-N,N-dimethyl-gamma-phenyl-, bromide (1:1)
CAS: 115-51-5
CID: 8276
Formula: C20H27BrN2O
MW: 391.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass390.13068
Monoisotopic Mass390.13068
Topological Polar Surface Area43.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity361
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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