Cadralazine

Base Information

• Chemical Name: Cadralazine
• CAS No.: 64241-34-5
• Molecular Formula: C₁₂H₂₁N₅O₃
• Molecular Weight: 283.33
• UNII: 8T96I3U713
• DSSTox Substance ID: DTXSID4048725
• Nikkaji Number: J69.473H
• Wikipedia: Cadralazine
• Wikidata: Q3649490
• NCI Thesaurus Code: C81527
• Metabolomics Workbench ID: 49576
• ChEMBL ID: CHEMBL2106561
• Mol file: 64241-34-5.mol

Synonyms:cadralazine;ISF 2469

Chemical Property of Cadralazine

Chemical Property:

• Melting Point: 160-162°
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 425.88°C (rough estimate)
• PKA: 6.0(at 25℃)
• PSA: 99.61000
• Density: 1.253 g/cm³
• LogP: 1.22060
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 283.16443955
• Heavy Atom Count: 20
• Complexity: 292

Purity/Quality:

95-99% ^*data from raw suppliers

Cadralazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC(C)O)C1=NN=C(C=C1)NNC(=O)OCC
• Description: Cadralazine is a vasodilatory antihypertensive reportedly better-tolerated and longer-acting than hydralazine. It is useful as a second-line treatment in the management of hypertension.

Technology Process of Cadralazine

There total 2 articles about Cadralazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,6-dichlorpyridazine (141-30-0) + N-(2-hydroxypropyl)ethylamine (40171-86-6) + ethylhydrazine carboxylate (4114-31-2) → N'-{6-[ethyl-(2-hydroxy-propyl)-amino]-pyridazin-3-yl}-hydrazinecarboxylic acid ethyl ester (64241-34-5)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

→ N'-{6-[ethyl-(2-hydroxy-propyl)-amino]-pyridazin-3-yl}-hydrazinecarboxylic acid ethyl ester (64241-34-5)

Guidance literature:

3-Chlor-6-(2-hydroxypropyl)ethylamino-pyridazin (I), entspr. Hydrazincarbonsaeureethylester;

upstream raw materials:

3,6-dichlorpyridazine

N-(2-hydroxypropyl)ethylamine

ethylhydrazine carboxylate

Refernces

• 1、 -. "Process for preparing 6-amino-3-hydrazinopyridazine derivatives". . . Retrieved 2008/06/13.