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Anisodamine Hydrobromide

CAT: 1410-M21541-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Anisodamine Hydrobromide is an anticholinergic and α1-adrenergic receptor antagonist used in the treatment of acute circulatory shock.
CAS Number
55449-49-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
386.28
Molecular Formula
C17H24BrNO4
Notes
Research use only, not for human use.
Receptor
Α1-adrenergic receptor

Chemical Information

Anisodamine hydrobromide
CAS Number55449-49-5
PubChem CID118856046
IUPAC Name[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
Molecular FormulaC17H24BrNO4
Molecular Weight386.3
Topological Polar Surface Area70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3.Br
InChI
InChI=1S/C17H23NO4.BrH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H/t12-,13-,14+,15+,16-;/m0./s1
InChIKey
KMYQCELRVANQNG-YXGOVGSCSA-N
Chemical Structure
2D Structure
2D structure of Anisodamine hydrobromide
CAS: 55449-49-5
CID: 118856046
Formula: C17H24BrNO4
MW: 386.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.08887
Monoisotopic Mass385.08887
Topological Polar Surface Area70 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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