(12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

Base Information

Chemical Name:(12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene
CAS No.:620948-93-8
Molecular Formula:C₁₅H₂₀N₂
Molecular Weight:228.337
Hs Code.:
DSSTox Substance ID:DTXSID80977680
Mol file:620948-93-8.mol

Synonyms:620948-93-8;(12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;SCHEMBL5483166;DTXSID80977680

Suppliers and Price of (12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

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

TRC
Vabicaserin
100mg
$ 3025.00

American Custom Chemicals Corporation
VABICASERIN 95.00%
5MG
$ 499.39

Total 13 raw suppliers

Chemical Property of (12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

Chemical Property:

PSA：15.27000
Density:1.16
LogP:2.88730
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:228.162648646
Heavy Atom Count:17
Complexity:291

Purity/Quality:

98%Min ^*data from raw suppliers

Vabicaserin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2CN3CCNCC4=C3C(=CC=C4)C2C1
Isomeric SMILES:C1C[C@@H]2CN3CCNCC4=C3C(=CC=C4)[C@@H]2C1
Uses Vabicaserin is a potent 5-hydroxytryptamine 2C receptor full agonist which may be potentially used in the treatment of schizophrenia and other psychotic symptoms.

Technology Process of (12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene

There total 25 articles about (12S,16R)-7,10-Diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene 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: 70.0%

: C₂₀H₂₈N₂O₂

: 620948-93-8
(±)-trans-4,5,6,7,9,9a,10,11,12,12a-decahydrocyclopenta[c][1,4]diazepino[6,7,1-ij]quinoline

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃;
DOI:10.1055/s-0035-1562621

Reference yield: 60.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 1562204-36-7
2-((3aR,9bS)-2,3,3a,4-tetrahydro-1H-cyclopenta[c]quinolin-5[9bH]-yl)ethanamine hydrochloride

: 620948-93-8
vabicaserin

Guidance literature:: With trifluoroacetic acid; In ethanol; water; at 20 ℃;
DOI:10.1021/jm401802f

Reference yield: 55.0%

: C₂₂H₂₃N₃O₆S

: 620948-93-8
vabicaserin

Guidance literature:: With C₁₆H₁₆NOPolS; potassium trimethylsilonate; In tetrahydrofuran; ethanol; at 20 ℃; for 4h; PS-Thiophenol
DOI:10.1002/chem.201802331