(3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide CAS 498555-58-1

Purity 97%+In StockPharmaceutical Standards
CAS No.498555-58-1
Molecular FormulaC33H42N6O13
Molecular Weight730.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide CAS 498555-58-1 chemical structure

Description

(3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide (CAS 498555-58-1) is a high-purity analytical reference standard with the molecular formula C33H42N6O13 and a molecular weight of 730.72 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, (3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 730.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC33H42N6O13
Molecular Weight730.72 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)16.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms6

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