Debrisoquin sulfate

Base Information

• Chemical Name: Debrisoquin sulfate
• CAS No.: 581-88-4
• Molecular Formula: C10H13N3•1/2H2O4S
• Molecular Weight: 224.30
• Hs Code.: 2933499090
• European Community (EC) Number: 209-472-4
• UNII: Q94064N9NW
• DSSTox Substance ID: DTXSID2047775
• Wikidata: Q27122265
• NCI Thesaurus Code: C77302
• ChEMBL ID: CHEMBL1593558
• Mol file: 581-88-4.mol

Synonyms:Debrisoquin;Debrisoquine;Tendor

Chemical Property of Debrisoquin sulfate

Chemical Property:

• Vapor Pressure: 0.000626mmHg at 25°C
• Melting Point: 278-280°, 284-285° or 266-268° (H2O)
• Boiling Point: 309.8°C at 760 mmHg
• Flash Point: 141.1°C
• PSA: 189.20000
• LogP: 3.78020
• Storage Temp.: -20°C Freezer
• Solubility.: H2O: 20 mg/mL with heat
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 448.18927457
• Heavy Atom Count: 31
• Complexity: 284

Purity/Quality:

98%,99%, ^*data from raw suppliers

DebrisoquinHemisulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)C(=N)N.C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O
• Uses: Antihypertensive Antihypertensive.
• Therapeutic Function: Antihypertensive

Technology Process of Debrisoquin sulfate

There total 1 articles about Debrisoquin sulfate 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: 14.0%

1,2,3,4-tetrahydroisoquinoline (91-21-4) + S-Methylisothiourea sulfate (867-44-7,147895-43-0) → Debrisoquin sulfate (581-88-4)

Guidance literature:

In ethanol; water; for 18h; Reflux;

DOI:10.1021/jm8011933

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

S-Methylisothiourea sulfate

Refernces