Dm-CHOC-pen

Base Information

Chemical Name:Dm-CHOC-pen
CAS No.:942149-56-6
Molecular Formula:C₃₅H₄₈Cl₅NO₄
Molecular Weight:724.035
Hs Code.:
UNII:1S83F4T2WE
ChEMBL ID:CHEMBL4297253
Metabolomics Workbench ID:155268
NCI Thesaurus Code:C90539
Wikidata:Q76507469
Mol file:942149-56-6.mol

Synonyms:Dm-CHOC-pen;Mipicoledine;942149-56-6;4-Demethyl-4-cholesteryloxycarbonylpenclomedine;1S83F4T2WE;4-Demethylcholesteryloxycarbonylpenclomedine;UNII-1S83F4T2WE;(3beta)-Cholest-5-en-3-yl 3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl carbonate;[3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate;3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl ((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbonate;MIPICOLEDINE [INN];CHEMBL4297253;SCHEMBL23777539;AKOS040751622;DB15075;HY-16173;CS-0006177;(3.BETA.)-CHOLEST-5-EN-3-YL 3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)PYRIDIN-4-YL CARBONATE;CHOLEST-5-EN-3-OL (3.BETA.)-, 3-(3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)-4-PYRIDINYL CARBONATE);CHOLEST-5-EN-3.BETA.-YL 3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)PYRIDIN-4-YL CARBONATE

Suppliers and Price of Dm-CHOC-pen

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 1 raw suppliers

Chemical Property of Dm-CHOC-pen

Chemical Property:

PSA：57.65000
LogP:12.14910
XLogP3:13.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:723.199647
Heavy Atom Count:45
Complexity:1080

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC5=C(C(=NC(=C5Cl)OC)C(Cl)(Cl)Cl)Cl)C)C
Isomeric SMILES:C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC5=C(C(=NC(=C5Cl)OC)C(Cl)(Cl)Cl)Cl)C)C
Recent ClinicalTrials:DM-CHOC-PEN for Brain Tumors in AYA Subjects

Technology Process of Dm-CHOC-pen

There total 1 articles about Dm-CHOC-pen 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: 91.0%