N-(2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide CAS 954635-57-5

Purity 97%+In StockPharmaceutical Standards
CAS No.954635-57-5
Molecular FormulaC18H22N2O4S2
Molecular Weight394.51 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide CAS 954635-57-5 chemical structure

Description

N-(2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide (CAS 954635-57-5), molecular formula C18H22N2O4S2 and molecular weight 394.51 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, N-(2-(Phenylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide (C18H22N2O4S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 394.51 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC18H22N2O4S2
Molecular Weight394.51 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms2

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