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Lobelin hydrochloride

CAT: 1407-AB1649Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB1649Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134-63-4
Purity
98% (HPLC)
Molecular Formula
C22H28ClNO2
Molecular Weight
373.921

Chemical Information

(-)-Lobeline hydrochloride

Lobeline hydrochloride is an organic molecular entity. It has a role as a cholinergic drug.

CAS Number134-63-4
PubChem CID101615
IUPAC Name2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride
Molecular FormulaC22H28ClNO2
Molecular Weight373.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity412
SMILES
CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)O.Cl
InChI
InChI=1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/t19-,20+,21-;/m0./s1
InChIKey
MKMYPTLXLWOUSO-NFQNBQCWSA-N
Chemical Structure
2D Structure
2D structure of (-)-Lobeline hydrochloride
CAS: 134-63-4
CID: 101615
Formula: C22H28ClNO2
MW: 373.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass373.1808568
Monoisotopic Mass373.1808568
Topological Polar Surface Area40.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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