Centbutindole

Base Information

Chemical Name:Centbutindole
CAS No.:42021-35-2
Molecular Formula:C₂₄H₂₆FN₃O
Molecular Weight:391.488
Hs Code.:
European Community (EC) Number:255-630-0
UNII:D71R962IV6
DSSTox Substance ID:DTXSID201107996
Nikkaji Number:J111.111F
Mol file:42021-35-2.mol

Synonyms:42021-35-2;Biriperone, (S)-;EINECS 255-630-0;D71R962IV6;Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-(p-fluorobenzoyl)propyl)-, l-;(S)-1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)butan-1-one;(S)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)butan-1-one;1-(4-FLUOROPHENYL)-4-((12AS)-3,4,6,7,12,12A-HEXAHYDROPYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOL-2(1H)-YL)-1-BUTANONE;1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone;1-BUTANONE, 1-(4-FLUOROPHENYL)-4-(3,4,6,7,12,12A-HEXAHYDROPYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOL-2(1H)-YL)-, (S)-;1-Butanone, 1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)-, (S)-;centbutindole,(S)-isomer;UNII-D71R962IV6;CENTBUTINDOLE, (-)-;DTXSID201107996;LS-127735;1-BUTANONE, 1-(4-FLUOROPHENYL)-4-((12AS)-3,4,6,7,12,12A-HEXAHYDROPYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOL-2(1H)-YL)-, (S)-

Suppliers and Price of Centbutindole

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 Centbutindole

Chemical Property:

Boiling Point:594.2°Cat760mmHg
PKA:18.07±0.20(Predicted)
Flash Point:313.2°C
PSA：39.34000
Density:1.29g/cm³
LogP:3.88820
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:391.20599062
Heavy Atom Count:29
Complexity:579

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2CC3=C(CC2CN1CCCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3
Isomeric SMILES:C1CN2CC3=C(C[C@H]2CN1CCCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3

Technology Process of Centbutindole

There total 2 articles about Centbutindole 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: 53.0%