Capnoidine

Base Information

Chemical Name:Capnoidine
CAS No.:485-50-7
Molecular Formula:C₂₀H₁₇NO₆
Molecular Weight:367.358
Hs Code.:
UNII:LV8QH3HB1R
DSSTox Substance ID:DTXSID80197543
Nikkaji Number:J1.238.125E
Wikidata:Q27104965
Pharos Ligand ID:2636SLUGBKFS
Metabolomics Workbench ID:68131
ChEMBL ID:CHEMBL1437488

Synonyms:Capnoidine;l-Adlumidine;(-)-Adlumidine;l-Capnoidine;485-50-7;UNII-LV8QH3HB1R;LV8QH3HB1R;(6R)-6-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;CHEBI:68991;Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-;Capnoidin;Lopac-B-9130;(-)-CAPNOIDINE;L-ADLUMIDINE [MI];ADLUMIDINE, (-)-;CHEMBL1437488;DTXSID80197543;(-)-Capnoidine ((-)-Adlumidine);CCG-36024;PDSP1_000139;AKOS040745646;NCGC00015169-01;NCGC00016464-01;CAS-485-49-4;LS-70679;FT-0632203;C09372;Q27104965;(R)-6-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-[1,3]dioxolo[4,5-e]isobenzofuran-8(6H)-one;FURO(3,4-E)-1,3-BENZODIOXOL-8(6H)-ONE, 6-((5R)-5,6,7,8-TETRAHYDRO-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)-, (6R)-

Suppliers and Price of Capnoidine

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
L-ADLUMIDINE 95.00%
5MG
$ 495.02

Total 6 raw suppliers

Chemical Property of Capnoidine

Chemical Property:

Vapor Pressure:7.98E-12mmHg at 25°C
Melting Point:238°
Boiling Point:542.3°C at 760 mmHg
PKA:4.24(at 25℃)
Flash Point:281.8°C
PSA：66.46000
Density:1.473g/cm³
LogP:2.52260
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:367.10558726
Heavy Atom Count:27
Complexity:615

Purity/Quality:

99% ^*data from raw suppliers

L-ADLUMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): A poison.
Hazard Codes:A poison.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILES:CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

Technology Process of Capnoidine

There total 6 articles about Capnoidine 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:

: 34408-04-3
(S)-6,7-dihydroxy-3-((R)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one

: 485-49-4,485-50-7,550-49-2,19730-80-4,26687-87-6,56083-00-2,64397-08-6
(+/-)-Adlumidine

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH / dimethylsulfoxide

2: KOH / methanol

With potassium hydroxide; sodium hydroxide; In methanol; dimethyl sulfoxide;
DOI:10.1021/jo00977a004

Reference yield:

: 118-08-1
hydrastine

: 485-49-4,485-50-7,550-49-2,19730-80-4,26687-87-6,56083-00-2,64397-08-6
(+/-)-Adlumidine

Guidance literature:: Multi-step reaction with 3 steps

1: BBr₃ / CH₂Cl₂

2: NaOH / dimethylsulfoxide

3: KOH / methanol

With potassium hydroxide; sodium hydroxide; boron tribromide; In methanol; dichloromethane; dimethyl sulfoxide;
DOI:10.1021/jo00977a004