Leonurine hydrochloride - 10mM in DMSO , CAS No.24735-18-0

CAS: 24735-18-0 Cat. No.: L422849 Molecular Weight: 347.8 EC Number: 803-441-4

GRADE & PURITY 10mM in DMSO

Synonyms

HY-N0741A | Leonurine (hydrochloride) | Leonurine HCl | 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate;hydrochloride | 4-hydroxy-3,5-dimethoxybenzoic acid 4-(diaminomethylideneamino)butyl ester hydrochloride | 4-[bis(azanyl)methylideneam

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

HY-N0741A | Leonurine (hydrochloride) | Leonurine HCl | 4-(diaminomethylideneamino)butyl 4-hydroxy-3, 5-dimethoxybenzoate;hydrochloride | 4-hydroxy-3, 5-dimethoxybenzoic acid 4-(diaminomethylideneamino)butyl ester hydrochloride | 4-[bis(azanyl)methylideneam

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.Cl
• IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate;hydrochloride
• InChIKey: GHVZIMAVDJZQGP-UHFFFAOYSA-N
• INCHI: 1S/C14H21N3O5.ClH/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);1H
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.Cl
• Molecular Weight: 347.8
• Reaxy-Rn: 50914654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50914654&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Methoxyphenols Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - Guanidine - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Carboximidamide - Organooxygen compound - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 347.790 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 347.125 Da
• Monoisotopic Mass: 347.125 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Tingxiang Chen, Hongyu Chen, Yuedong Fu, Xuao Liu, Haosheng Huang, Zhijie Li, Shi Li.  (2023)  The eNOS-induced leonurine's new role in improving the survival of random skin flap.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:37827057] [10.1016/j.intimp.2023.111037]

2. Libing Zheng, Kai Wang, Deyin Hou, Xiaolin Jia, Zhichao Zhao.  (2022)  Hierarchically-structured superhydrophobic POSS/PVDF composite membrane for anti-fouling and anti-wetting membrane distillation.  DESALINATION,      [PMID:] [10.1016/j.desal.2021.115512]

3. Song Peng, Yang-yang Sun, Qiangqiang Chu, Hua-dong Meng, Ming-wei Hao, Yan-bei Zhang.  (2025)  Leonurine improves manifestation of chronic obstructive pulmonary disease in rats by inhibiting NF-κB and JAK2/STAT3 signaling pathways.  IMMUNOPHARMACOLOGY AND IMMUNOTOXICOLOGY,      [PMID:41215496] [10.1080/08923973.2025.2586126]