Pilocereine

Base Information

Chemical Name:Pilocereine
CAS No.:2552-47-8
Molecular Formula:C₄₅H₆₅N₃O₆
Molecular Weight:744.028
Hs Code.:
NSC Number:90601,21075
UNII:PV5UF6M752
DSSTox Substance ID:DTXSID90948422
Nikkaji Number:J7.612K
Wikidata:Q27107946
ChEMBL ID:CHEMBL2006650
Mol file:2552-47-8.mol

Synonyms:PILOCEREINE;Pilocercine;2552-47-8;NSC21075;UNII-PV5UF6M752;CHEBI:8208;PV5UF6M752;6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol;NSC 21075;NSC-21075;1-Isobutyl-8-((1-isobutyl-8-((1-isobutyl-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)oxy)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol;1-ISOBUTYL-8-({1-ISOBUTYL-8-[(1-ISOBUTYL-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)OXY]-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL}OXY)-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINOL;7-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-8-((1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-8-((1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-1-(2-METHYLPROPYL)-7-ISOQUINOLINYL)OXY)-7-ISOQUINOLINYL)OXY)-;7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-;PILOCEREINE [MI];C09609;Neuro_000011;CHEMBL2006650;DTXSID90948422;NSC90601;NSC-90601;AKOS024427234;NCI60_001768;Q27107946;1-isobutyl-8-[[1-isobutyl-8-[(1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;6-Methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihyd ro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3;6-Methoxy-8-{[6-methoxy-8-{[6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol;7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl ]oxy]-7-isoquinolinyl]oxy]-;7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]-;7-Isoquinolinol,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-8-[[1,2,3,4-tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)-7-isoquinolinyl]oxy]-7-isoquinolinyl]oxy]- (VA

Suppliers and Price of Pilocereine

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

Total 3 raw suppliers

Chemical Property of Pilocereine

Chemical Property:

Vapor Pressure:3.42E-20mmHg at 25°C
Melting Point:176.5-177°
Boiling Point:699.1°Cat760mmHg
PKA:9.22±0.40(Predicted)
Flash Point:376.6°C
PSA：76.10000
Density:1.082g/cm³
LogP:9.54160
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:743.48733680
Heavy Atom Count:54
Complexity:1160

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C
Description A constituent of the cactus Lophocereus Schottii, this alkaloid yields colourless crystals from AcOEt. The structure is that of a trimeric isoquinoline. A dihydro_x0002_chloride is obtained as the dihydrate, m.p. 228- 232°C (dec.); the diperchlorate has m.p. 214-7°C; the oxalate forms a crystalline dihydrate, m.p. 158-163°C (dec.) on rapid heating and m.p. 198- 200°C (dec.) on slow heating. The O-acetate has m.p. 186°C and the methyl ether exists in two forms as crystals from AcOEt, m.p. 133-5°C and crystals from hexane which melt at 92-105°C and again at I 53-5°C after intermediate solidification. The structure has been determined by chemical degradation and spectroscopic analysis.

Technology Process of Pilocereine

There total 1 articles about Pilocereine 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: