CID 333544

Base Information

Chemical Name:CID 333544
CAS No.:25127-29-1
Molecular Formula:C₂₀H₂₁NO₄
Molecular Weight:339.391
Hs Code.:
NSC Number:335648
Nikkaji Number:J1.261.673B
Wikidata:Q105279775
Metabolomics Workbench ID:126000
ChEMBL ID:CHEMBL1989287
Mol file:25127-29-1.mol

Synonyms:crebanine;L-CBN;L-crebanine

Suppliers and Price of CID 333544

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

Crysdot
Crebanine 95+%
5mg
$ 730.00

ChemScene
Crebanine
5mg
$ 119.00

ChemScene
Crebanine
20mg
$ 343.00

ChemScene
Crebanine
10mg
$ 202.00

Biosynth Carbosynth
Crebanine
25 mg
$ 360.00

Biosynth Carbosynth
Crebanine
50 mg
$ 612.00

Biosynth Carbosynth
Crebanine
5 mg
$ 103.00

Biosynth Carbosynth
Crebanine
2 mg
$ 52.00

Biosynth Carbosynth
Crebanine
10 mg
$ 180.00

Arctom
Crebanine ≥98%
20mg
$ 168.00

Total 47 raw suppliers

Chemical Property of CID 333544

Chemical Property:

Vapor Pressure:1.11E-09mmHg at 25°C
Melting Point:126 °C
Boiling Point:488.2°Cat760mmHg
PKA:6?+-.0.20(Predicted)
Flash Point:145.4°C
PSA：40.16000
Density:1.266g/cm³
LogP:3.12250
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:339.14705815
Heavy Atom Count:25
Complexity:502

Purity/Quality:

≥98% ^*data from raw suppliers

Crebanine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3
Isomeric SMILES:CN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C=CC(=C5OC)OC)OCO3
Uses Crebanine is an aporphine alkaloid which helps sensitize TNF-α induced apoptosis and suppress human lung adenocarcinoma. Known to exhibit anticancer properties.

Technology Process of CID 333544

There total 2 articles about CID 333544 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:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 77784-23-7
stesakine

: 517-62-4,25127-29-1,79642-40-3
Crebanine

Guidance literature:: In diethyl ether;
DOI:10.1016/S0031-9422(00)83953-9

Reference yield:

: 517-62-4,25127-29-1,79642-40-3
Crebanine

Guidance literature:: With sulfuric acid; copper; anschliessend Erwaermen mit Zink-Pulver und wss. HCl;

Reference yield: 91.0%

: 517-62-4,25127-29-1,79642-40-3
(-)-crebanine

: 77784-22-6
dehydrocrebanine

Guidance literature:: With palladium 10% on activated carbon; In acetonitrile; for 6h; Inert atmosphere; Reflux;
DOI:10.3390/molecules21121555