Tipentosin structure

Tipentosin

5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

Also Known As: Tipentosina|Tipentosine|Tipentosin [INN:BAN]|Mdl 19744A|TIPENTOSIN [INN]|Mdl-19,744A|5-({[(1s,2s,3s)-2-hydroxy-3-phenoxycyclopentyl]amino}methyl)-2-methyl-6,7-dihydro-1-benzothiophen-4(5h)-one|5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one|6,7-Dihydro-5-(((2-hydroxy-3-phenoxycyclopentyl)amino)methyl)-2-methylbenzo(b)thiophen-4(5H)-one|(+/-)-6,7-DIHYDRO-5-((((1R*,2R*,3R*)-2-HYDROXY-3-PHENOXYCYCLOPENTYL)AMINO)METHYL)-2-METHYLBENZO(B)THIOPHEN-4(5H)-ONE|5-{[(2-Hydroxy-3-phenoxycyclopentyl)amino]methyl}-2-methyl-6,7-dihydro-1-benzothiophen-4(5H)-one

CAS: 5345-11-9
Molecular Formula C21H25NO3S
Molecular Weight 371.15552 g/mol
LogP 3.4
Topological Polar Surface Area 86.8 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 371.15552
Monoisotopic Mass 371.15552
Heavy Atoms 26
Complexity 496.0

Chemical Identifiers

CAS Number 5345-11-9
SMILES CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@@H]([C@H]3O)OC4=CC=CC=C4
InChIKey IMKMRGOTDDUQHF-MAHSACTOSA-N

Product Overview

Tipentosin (CAS 5345-11-9), with molecular formula C21H25NO3S and molecular weight 371.15552 g/mol. IUPAC: 5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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