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Ambutonium bromide

CAT: 0931-T14206-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14206-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115-51-5
Target
Others, AChR
Related Pathways
Neuroscience, Others
Bioactivity
Ambutonium bromide is an antagonist of acetylcholine.
Smiles
[Br-].O=C(N)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC[N+](C)(C)CC
Molecular Formula
C20H27BrN2O
Molecular Weight
391.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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