12-(1,3,8,10-Tetraoxo-9-(tridecan-7-yl)-9,10-dihydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-2(1H,3H,8H)-yl)dodecanoic acid CAS 626231-72-9

Purity 97%+In StockPharmaceutical Standards
CAS No.626231-72-9
Molecular FormulaC49H58N2O6
Molecular Weight770.99 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

12-(1,3,8,10-Tetraoxo-9-(tridecan-7-yl)-9,10-dihydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-2(1H,3H,8H)-yl)dodecanoic acid CAS 626231-72-9 chemical structure

Description

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.

12-(1,3,8,10-Tetraoxo-9-(tridecan-7-yl)-9,10-dihydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-2(1H,3H,8H)-yl)dodecanoic acid (CAS 626231-72-9) is a high-purity analytical reference standard with the molecular formula C49H58N2O6 and a molecular weight of 770.99 g/mol.

Structurally, 12-(1,3,8,10-Tetraoxo-9-(tridecan-7-yl)-9,10-dihydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-2(1H,3H,8H)-yl)dodecanoic acid (C49H58N2O6) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 22.0, corresponding to approximately 22 ring(s) or double-bond equivalent(s). With a molecular weight of 770.99 g/mol, it falls into the 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.

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 FormulaC49H58N2O6
Molecular Weight770.99 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)22.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms2

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