Zatosetron

Base Information

Chemical Name:Zatosetron
CAS No.:123482-22-4
Molecular Formula:C₁₉H₂₅ClN₂O₂
Molecular Weight:348.873
Hs Code.:
UNII:901MC95XSB
Nikkaji Number:J361.098E,J457.502D
Wikipedia:Zatosetron
Wikidata:Q76393582
NCI Thesaurus Code:C95278
ChEMBL ID:CHEMBL2111147
Mol file:123482-22-4.mol

Synonyms:5-chloro-2,3-dihydro-2,2-dimethyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-7-benzofurancarboxamide;LY 277359;LY 277359 maleate;LY-277359;zatosetron;zatosetron maleate

Suppliers and Price of Zatosetron

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
ZATOSETRON 95.00%
5MG
$ 495.51

Total 6 raw suppliers

Chemical Property of Zatosetron

Chemical Property:

Vapor Pressure:8.99E-08mmHg at 25°C
Boiling Point:435.1°Cat760mmHg
Flash Point:216.9°C
PSA：41.57000
Density:1.26g/cm³
LogP:3.73730
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:348.1604557
Heavy Atom Count:24
Complexity:498

Purity/Quality:

98%min ^*data from raw suppliers

ZATOSETRON 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C
Isomeric SMILES:CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C
Uses Antimigraine.
Therapeutic Function Serotonin antagonist

Technology Process of Zatosetron

There total 7 articles about Zatosetron 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:

: 321-14-2
5-chloro-2-hydroxybenzoic acid

: 123482-22-4
Zatosetron

Guidance literature:: Multi-step reaction with 7 steps

1: 85 percent / HCl (gas) / Heating

2: 29 percent / K₂CO₃ / acetone / Heating

3: 81.7 percent / N-methylpyrrolidinone / 7 h / Heating

4: 90percent aq. HCOOH / 3 h / Heating

5: NaOH / H₂O / 3 h / Heating

6: SOCl₂ / 3 h / Heating

7: toluene / Heating

With 1-methyl-pyrrolidin-2-one; hydrogenchloride; sodium hydroxide; formic acid; thionyl chloride; potassium carbonate; In water; acetone; toluene;
DOI:10.1021/jm00080a016

Reference yield:

: 4068-78-4
methyl 5-chloro-2-hydroxybenzoate

: 123482-22-4
Zatosetron

Guidance literature:: Multi-step reaction with 6 steps

1: 29 percent / K₂CO₃ / acetone / Heating

2: 81.7 percent / N-methylpyrrolidinone / 7 h / Heating

3: 90percent aq. HCOOH / 3 h / Heating

4: NaOH / H₂O / 3 h / Heating

5: SOCl₂ / 3 h / Heating

6: toluene / Heating

With 1-methyl-pyrrolidin-2-one; sodium hydroxide; formic acid; thionyl chloride; potassium carbonate; In water; acetone; toluene;
DOI:10.1021/jm00080a016

Reference yield:

: 123656-27-9
5-chloro-2,2-dimethyl-2,3-dihydro-7-benzofurancarboxylic acid

: 123482-22-4
Zatosetron

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 3 h / Heating

2: toluene / Heating

With thionyl chloride; In toluene;
DOI:10.1021/jm00080a016