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Calligonine

CAT: 0013-GTR19243002-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243002-02Size:50 mg
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Description
Calligonine (Tetrahydroharman) is a natural alkaloid found in Calligonum minimum roots and Elaeagnus angustifolia bark. It exhibits a potent and prolonged blood pressure-lowering effect, analogous to reserpine, making it a compound of interest for cardiovascular research in both in vivo and in vitro pharmacological studies.
CAS Number
525-40-6
Smiles
CC1NCCC2=C1NC3=C2C=CC=C3
Molecular Formula
C12H14N2
Molecular Weight
186.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Calligonine

Calligonine is a harmala alkaloid.

CAS Number525-40-6
PubChem CID442025
IUPAC Name(1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular FormulaC12H14N2
Molecular Weight186.25
XLogP1.9
Topological Polar Surface Area27.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
C[C@@H]1C2=C(CCN1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1
InChIKey
LPIJOZBIVDCQTE-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of Calligonine
CAS: 525-40-6
CID: 442025
Formula: C12H14N2
MW: 186.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.25
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass186.115698455
Monoisotopic Mass186.115698455
Topological Polar Surface Area27.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T201953-01Calligonine

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