Debrisoquine

Base Information

• Chemical Name: Debrisoquine
• CAS No.: 1131-64-2
• Molecular Formula: C10H13 N3
• Molecular Weight: 175.233
• Hs Code.: 2933499090
• European Community (EC) Number: 214-470-1
• UNII: X31CDK040E
• DSSTox Substance ID: DTXSID7022885
• Nikkaji Number: J7.269I
• Wikipedia: Debrisoquine
• Wikidata: Q3704421
• NCI Thesaurus Code: C75053
• Metabolomics Workbench ID: 38932
• ChEMBL ID: CHEMBL169901
• Mol file: 1131-64-2.mol

Synonyms:Debrisoquin;Debrisoquine;Tendor

Chemical Property of Debrisoquine

Chemical Property:

• Vapor Pressure: 0.000626mmHg at 25°C
• Melting Point: 278-280 °C
• Boiling Point: 309.8°Cat760mmHg
• PKA: pKa 11.9 (Uncertain)
• Flash Point: 141.1°C
• PSA: 53.11000
• Density: 1.24g/cm³
• LogP: 1.67610
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.110947427
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

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

Debrisoquin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)C(=N)N
• Recent ClinicalTrials: Metabolic Capacity of Israeli Populations
• Uses: Antihypertensive.
• Therapeutic Function: Antihypertensive

Technology Process of Debrisoquine

There total 3 articles about Debrisoquine 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:

2-hydroxyamidino-1,2,3,4-tetrahydroisoquinoline (25934-17-2) → debrisoquine (1131-64-2)

Guidance literature:

With cytochrome b5; mitochondrial amidoxime reducing component 1; NADH cytochrome b5 reductase; NADH; at 37 ℃; pH=6; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1021/jm8010417

Reference yield:

1,2,3,4-tetrahydroisoquinoline (91-21-4) + aminoiminomethanesulfonic acid (1184-90-3) → debrisoquine (1131-64-2)

Guidance literature:

Reference yield:

→ debrisoquine (1131-64-2)

Guidance literature:

aus Tetrahydroisochinolin, S-Methyl-isothioharnstoff-sulfat;

DOI:10.1007/BF00762073

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

aminoiminomethanesulfonic acid

2-hydroxyamidino-1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

(+)-dextrorphan

4-hydroxydebrisoquine

Refernces

• 1、 Stankevichus et al.. "-". . . Retrieved 1969.
• 2、 -. "Process for producing amidine sulfonic acids". . . Retrieved 2008/06/13.