Tolafentrine

N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide

CAS: 139308-65-9

Molecular Formula	`C28H31N3O4S`
Molecular Weight	505.6 g/mol
LogP	4.1
Topological Polar Surface Area	88.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	505.20352
Heavy Atoms	36
Complexity	874.0

Chemical Identifiers

CAS Number	139308-65-9
SMILES	`CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4CCN(CC4C5=CC(=C(C=C53)OC)OC)C`
InChIKey	`FVZJIAUYFDQQKJ-DQEYMECFSA-N`

📖 Product Overview

Tolafentrine (CAS: 139308-65-9) is a chemical compound with molecular formula C28H31N3O4S and molecular weight 505.6 g/mol. Its IUPAC systematic name is N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide. LogP 4.1 Topological Polar Surface Area 88.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 505.20352 Heavy Atoms 36 Complexity 874.0 InChI Key: FVZJIAUYFDQQKJ-DQEYMECFSA-N. SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4CCN(CC4C5=CC(=C(C=C53)OC)OC)C.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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