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Anisodamine

CAT: 0931-T21532-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21532-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55869-99-3
Target
AChR
Related Pathways
Neuroscience
Purity
0.9988
Bioactivity
Anisodamine (6-beta-Hydroxyhyoscyamine) is an antagonist of muscarinic and nicotinic cholinoceptor with similar affinities at the muscarinic receptor as scopolamine and atropine. Anisodamine improve the microcirculation in states of shock and can be used in studies about organophosphate poisoning.
Smiles
CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
Molecular Formula
C17H23NO4
Molecular Weight
305.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anisodamine

Anisodamine has been investigated for the treatment of Intestinal Diseases.

CAS Number55869-99-3
PubChem CID6918612
IUPAC Name[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular FormulaC17H23NO4
Molecular Weight305.4
XLogP0.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
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
InChI
InChI=1S/C17H23NO4/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/t12-,13-,14+,15+,16-/m0/s1
InChIKey
WTQYWNWRJNXDEG-RBZJEDDUSA-N
Chemical Structure
2D Structure
2D structure of Anisodamine
CAS: 55869-99-3
CID: 6918612
Formula: C17H23NO4
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass305.16270821
Monoisotopic Mass305.16270821
Topological Polar Surface Area70 Ų
Heavy Atom Count22
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 Count1
Compound Is CanonicalizedYes

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