Didesmethyl Almotriptan

Base Information

• Chemical Name: Didesmethyl Almotriptan
• CAS No.: 181178-24-5
• Molecular Formula: C15H20N3O2S
• Molecular Weight: 307.417
• UNII: JLA8PUR9UZ
• DSSTox Substance ID: DTXSID10458497
• Nikkaji Number: J1.455.231F
• Wikidata: Q82281826
• Mol file: 181178-24-5.mol

Synonyms:Didesmethyl Almotriptan;181178-24-5;Almotriptan N,N-Didesmethyl;JLA8PUR9UZ;2-(5-((pyrrolidin-1-ylsulfonyl)methyl)-1h-indol-3-yl)ethanamine;2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;1-[[3-(2-Aminoethyl)-5-indolyl]methanesulfonyl]pyrrolidine;Almotriptan malate impurity D [EP IMPURITY];5-((1-Pyrrolidinylsulfonyl)methyl)-1H-indole-3-ethanamine;1-((3-(2-Aminoethyl)-5-indolyl)methanesulfonyl)pyrrolidine;1H-Indole-3-ethanamine, 5-((1-pyrrolidinylsulfonyl)methyl)-;3-(2-Aminoethyl)-5-(1-pyrrolidinylsulfonylmethyl)-1H-indole;2-(5-((Pyrrolidine-1-sulfonyl)methyl)-1H-indol-3-yl)ethan-1-amine;Pyrrolidine, 1-(((3-(2-aminoethyl)-1H-indol-5-yl)methyl)sulfonyl)-;2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethan-1-amine;UNII-JLA8PUR9UZ;SCHEMBL1847568;DTXSID10458497;XLDLLAFWGVDYHM-UHFFFAOYSA-N;CS-T-17943;FT-0666684;E87546;J-011570;Pyrrolizino[[3-(2-aminoethyl)-1H-indole-5-yl]methyl] sulfone

Chemical Property of Didesmethyl Almotriptan

Chemical Property:

• Boiling Point: 552.2±60.0 °C(Predicted)
• PKA: 16.89±0.30(Predicted)
• PSA: 87.57000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 3.31370
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 307.13544809
• Heavy Atom Count: 21
• Complexity: 442

Purity/Quality:

≥99% ^*data from raw suppliers

Didesmethyl Almotriptan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)S(=O)(=O)CC2=CC3=C(C=C2)NC=C3CCN
• Uses: Almotriptan metabolite.