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Anisodamine

CAT: 0013-GTR19163491-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163491-04Size:100 mg
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Description
Anisodamine, also known as 7β-hydroxyhyoscyamine, is an anticholinergic and α1-adrenergic receptor antagonist used in the treatment of acute circulatory shock in China. It is also a naturally occurring tropane alkaloid found in some plants of the Solanaceae family.
CAS Number
17659-49-3
Product Name Alternative
6-hydroxy Hyoscyamine
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
CN1C2CC (O) C1CC (C2) OC (=O) C (CO) C1=CC=CC=C1
Molecular Formula
C17H23NO4
Molecular Weight
305.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate

6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate has been reported in Hyoscyamus niger with data available.

CAS Number17659-49-3
PubChem CID2198
IUPAC Name(6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 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
CN1C2CC(CC1C(C2)O)OC(=O)C(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
InChIKey
WTQYWNWRJNXDEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (6-Hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) 3-hydroxy-2-phenylpropanoate
CAS: 17659-49-3
CID: 2198
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 Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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