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Leonurine

CAT: 0013-GTR19162508-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162508-02Size:200 mg
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Description
Leonurine (SCM-198) is a natural alkaloid that exhibits cardio-and neuronal-protective effects both in vitro and in vivo, occupies the caspase recruitment site of Apaf-1, blocks its interaction with procaspase-9; attenuates doxorubicin-induced apoptosis in H9c2 cardiac muscle cells, protects middle cerebral artery occluded rats through antioxidant effect and regulation of mitochondrial function, attenuates myocardial fibrotic response via inhibition of NADPH oxidase 4 (Nox4) .
CAS Number
24697-74-3
Product Name Alternative
SCM-198
Purity
>98% (HPLC)
Solubility
DMSO : 6 mg/mL 19.27 mM
Smiles
O=C (OCCCCNC (N) =N) C1=CC (OC) =C (O) C (OC) =C1
Molecular Formula
C14H21N3O5
Molecular Weight
311.338
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, ester with (4-hydroxybutyl) guanidine (8CI)

Chemical Information

Leonurine

Leonurine is a trihydroxybenzoic acid.

CAS Number24697-74-3
PubChem CID161464
IUPAC Name4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
Molecular FormulaC14H21N3O5
Molecular Weight311.33
XLogP0.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity359
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N
InChI
InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
InChIKey
WNGSUWLDMZFYNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leonurine
CAS: 24697-74-3
CID: 161464
Formula: C14H21N3O5
MW: 311.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.33
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass311.14812078
Monoisotopic Mass311.14812078
Topological Polar Surface Area129 Ų
Heavy Atom Count22
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N0741R-01Leonurine (Standard)

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