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Anisodamine hydrochloride

CAT: 0931-TN7625-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7625-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131674-05-0
Target
Adrenergic Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
Anisodamine hydrochloride, an anticholinergic and α1 adrenergic receptor antagonist, is used for enhancing blood flow in circulatory disorders like septic shock. It exhibits a range of pharmacological effects similar to Atropine and Scopolamine, including the inhibition of salivation, gastrointestinal and sweat secretion, gastrointestinal motility, respiratory secretion, and urinary bladder contraction in vivo [1].
Smiles
CN1[C@]2([C@@H](O)C[C@@]1(C[C@H](OC([C@H](CO)C3=CC=CC=C3)=O)C2)[H])[H].Cl
Molecular Formula
C17H24ClNO4
Molecular Weight
341.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anisodamine hydrochloride
CAS Number131674-05-0
PubChem CID51051790
IUPAC Name[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride
Molecular FormulaC17H24ClNO4
Molecular Weight341.8
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.Cl
InChI
InChI=1S/C17H23NO4.ClH/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
TXJYFXBXRUTHSF-YXGOVGSCSA-N
Chemical Structure
2D Structure
2D structure of Anisodamine hydrochloride
CAS: 131674-05-0
CID: 51051790
Formula: C17H24ClNO4
MW: 341.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass341.1393859
Monoisotopic Mass341.1393859
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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