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Product Overview

Product Code

TRC-T531000

CAS Number

139308-65-9

Product Format

Neat

Molecular Formula

C28 H31 N3 O4 S

Molecular Weight

505.63

Product Categories

Phosphodiesterase, TRC, Memory, Learning and Cognition, Parkinson's, Schizophrenia, Cardiac drugs and beta blockers, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Tolafentrine

CAS Number

139308-65-9

Molecular Formula

C28 H31 N3 O4 S

Molecular Weight

505.63

Accurate Mass

505.2035

SMILES

COc1cc2[C@@H]3CN(C)CC[C@@H]3N=C(c4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4)c2cc1OC

InChI

InChI=1S/C28H31N3O4S/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3/t24-,25-/m0/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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