5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate CAS 186694-02-0

Purity 97%+In StockPharmaceutical Standards
CAS No.186694-02-0
Molecular Formula2*C14H17N3O2S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate CAS 186694-02-0 chemical structure

Description

The occurrence of 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate (CAS 186694-02-0), molecular formula C14H17N3O2SHClH2O and molecular weight 345.84 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C14H17N3O2SHClH2O, 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 345.84 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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.

CATO manufactures 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride hemihydrate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular Formula2*C14H17N3O2S 2*HCl H2O
Molecular Weight345.84 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2010
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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