Capobenic acid

Base Information

Chemical Name:Capobenic acid
CAS No.:21434-91-3
Molecular Formula:C16H23 N O6
Molecular Weight:325.362
Hs Code.:2924299090
European Community (EC) Number:244-387-6
NSC Number:759126,230936
UNII:3R77T835TA
DSSTox Substance ID:DTXSID3045695
Nikkaji Number:J10.782D
Wikidata:Q4727112
NCI Thesaurus Code:C80873
ChEMBL ID:CHEMBL1418182
Mol file:21434-91-3.mol

Synonyms:CAPOBENIC ACID;21434-91-3;Trifartine;6-[(3,4,5-Trimethoxybenzoyl)amino]hexanoic acid;Capobenic-Acid;ATBAC;6-(3,4,5-Trimethoxybenzamido)hexanoic acid;NSC-230936;NSC-759126;MLS000029754;DTXSID3045695;3R77T835TA;6-(3,4,5-Trimethoxy-benzoylamino)-hexanoic acid;NCGC00027960-02;SMR000001015;C-3;Hexanoic acid, 6-((3,4,5-trimethoxybenzoyl)amino)-;DTXCID1025695;Pectoris;CAS-21434-91-3;SR-01000357658;Acido capobenico;Acide capobenique;Acidum capobenicum;C-Tre;TB-ACA;Opera_ID_1430;CAPOBENIC ACID [MI];Capobenic acid (USAN/INN);CAPOBENIC ACID [INN];Capobenic acid [USAN:INN];MLS001240192;CAPOBENIC ACID [USAN];SCHEMBL309384;UNII-3R77T835TA;CAPOBENIC ACID [MART.];Acide capobenique [INN-French];Acido capobenico [INN-Spanish];Acidum capobenicum [INN-Latin];CHEMBL1418182;CHEBI:135388;HMS2093H19;HMS2234H12;Pharmakon1600-01505417;EINECS 244-387-6;Tox21_110972;WLN: QV5MVR CO1 DO1 EO1;NSC230936;NSC759126;STK046287;AKOS000274209;Tox21_110972_1;CCG-213428;HY-W288642;NSC 230936;NSC 759126;Hexanoic acid,4,5-trimethoxybenzamido)-;NCGC00027960-03;6-(3,5-Trimethoxybenzamido)hexanoic acid;6-(3,4,5-Trimethoxybenzamido)hexansaeure;SBI-0206852.P001;6-(3,5-Trimethoxybenzamido) hexanoic acid;CS-0333618;Hexanoic acid,4,5-trimethoxybenzoyl)amino]-;3,5-Trimethoxybenzoyl-.xi.-aminocaproic acid;6-(3,4,5-Trimethoxybenzamido) hexanoic acid;Hexanoic acid,4,5-(trimethoxybenzoyl)amino]-;6-[(3,5-Trimethoxybenzoyl)amino]hexanoic acid;D03369;AB00396271-11;AB00396271_13;3,5-Trimethoxybenzoyl-.epsilon.-aminocaproic acid;Q4727112;SR-01000357658-1;SR-01000357658-3;N-(3,5-Trimethoxybenzoyl)-.epsilon.-aminocaproic acid;6-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}hexanoic acid

Suppliers and Price of Capobenic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
CAPOBENIC ACID 95.00%
1G
$ 675.15

Total 12 raw suppliers

Chemical Property of Capobenic acid

Chemical Property:

Vapor Pressure:9.61E-10mmHg at 25°C
Melting Point:121-123°
Boiling Point:472.8°C at 760 mmHg
Flash Point:239.7°C
PSA：94.09000
Density:1.166g/cm³
LogP:2.47810
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:325.15253745
Heavy Atom Count:23
Complexity:362

Purity/Quality:

99% ^*data from raw suppliers

CAPOBENIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)NCCCCCC(=O)O
Uses Cardiac depressant (anti-arrhythmic).

Technology Process of Capobenic acid

There total 2 articles about Capobenic acid 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: 86.0%