Monodesmethyl sumatriptan

Base Information

Chemical Name:Monodesmethyl sumatriptan
CAS No.:88919-51-1
Molecular Formula:C₁₃H₁₉N₃O₂S
Molecular Weight:281.379
Hs Code.:
UNII:6691XA829C
DSSTox Substance ID:DTXSID50237425
Wikidata:Q27263980
Mol file:88919-51-1.mol

Synonyms:Monodesmethyl sumatriptan;88919-51-1;N-Desmethyl Sumatriptan;UNII-6691XA829C;N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide;6691XA829C;(3-(2-(Methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide;1H-Indole-5-methanesulfonamide, N-methyl-3-(2-(methylamino)ethyl)-;N-Methyl(3-(2-(methylamino)ethyl)-1H-indol-5-yl)methanesulfonamide;Sumatriptan succinate specified impurity B [EP];Sumatriptan EP Impurity B;Sumatriptan impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide- [USP];Sumatriptan succinate impurity, (3-(2-(methylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide- [USP];SCHEMBL2739183;DTXSID50237425;CS-O-08211;FT-0666221;Q27263980;SUMATRIPTAN SUCCINATE IMPURITY B [EP IMPURITY];SUMATRIPTAN IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE- [USP IMPURITY];SUMATRIPTAN SUCCINATE IMPURITY, (3-(2-(METHYLAMINO)ETHYL)-1H-INDOL-5-YL)-N-METHYLMETHANESULFONAMIDE- [USP IMPURITY]

Suppliers and Price of Monodesmethyl sumatriptan

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

Biosynth Carbosynth
N-Desmethyl sumatriptan
100 mg
$ 1638.00

Biosynth Carbosynth
N-Desmethyl sumatriptan
50 mg
$ 901.00

Biosynth Carbosynth
N-Desmethyl sumatriptan
25 mg
$ 496.00

Biosynth Carbosynth
N-Desmethyl sumatriptan
10 mg
$ 272.60

Biosynth Carbosynth
N-Desmethyl sumatriptan
5 mg
$ 150.00

Total 19 raw suppliers

Chemical Property of Monodesmethyl sumatriptan

Chemical Property:

Melting Point:75-76 °C
Boiling Point:505.4±60.0 °C(Predicted)
PKA:11.31±0.40(Predicted)
PSA：82.37000
Density:1.263±0.06 g/cm3(Predicted)
LogP:2.84160
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:281.11979803
Heavy Atom Count:19
Complexity:380

Purity/Quality:

99%, ^*data from raw suppliers

N-Desmethyl sumatriptan ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNCCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC
Uses An impurity of the antimigraine Sumatriptan (S810000).

Technology Process of Monodesmethyl sumatriptan

There total 4 articles about Monodesmethyl sumatriptan 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: 82.0%

: 1198110-34-7
ethyl [2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethyl]carbamate

: 88919-51-1
N-methyl-2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethanamine

Guidance literature:: ethyl [2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethyl]carbamate; With lithium aluminium tetrahydride; In tetrahydrofuran; Inert atmosphere; Reflux;

With water; potassium carbonate; In tetrahydrofuran; at 20 ℃;

Reference yield:

: 114094-45-0
methyl-aminobutyraldehyde diethyl acetal

: 139272-29-0
4-hydrazinobenzyl methyl sulfone

: 88919-51-1
N-methyl-2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethanamine

Guidance literature:: methyl-aminobutyraldehyde diethyl acetal; 4-hydrazinobenzyl methyl sulfone; With hydrogenchloride; In water; at 90 ℃; for 1h;

With sodium hydroxide; In water; pH=7;

Reference yield:

: 88918-75-6
3-[2-(Formylamino)ethyl]-N-methyl-1H-indole-5-methanesulphonamide

: 88919-51-1
N-methyl-2-[5-[[(methylamino)sulphonyl]methyl]-1H-indol-3-yl]ethanamine

Guidance literature:: With lithium aluminium tetrahydride; diisobutylaluminium hydride; In tetrahydrofuran; for 11h; Heating;
DOI:10.1002/(SICI)1099-1344(199611)38:11<1021::AID-JLCR921>3.0.CO;2-O