Silicate(4-), [2,5-dioxo-1-pyrrolidinyl 6-[[[3-[(29H,31H-phthalocyanin-1-yl-κN29,κN30,κN31,κN32)oxy]propoxy]carbonyl]amino]hexanoato(2-)]bis[N-[3-[(hydroxy-κO)dimethylsilyl]propyl]-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanaminiumato(4-)]-,sodium (1:4),(OC-6-13)- CAS 916821-46-0

Purity 97%+In StockPharmaceutical Standards
CAS No.916821-46-0
Molecular FormulaC74H96N12O27S6Si3
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Silicate(4-), [2,5-dioxo-1-pyrrolidinyl 6-[[[3-[(29H,31H-phthalocyanin-1-yl-κN29,κN30,κN31,κN32)oxy]propoxy]carbonyl]amino]hexanoato(2-)]bis[N-[3-[(hydroxy-κO)dimethylsilyl]propyl]-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanaminiumato(4-)]-,sodium (1:4),(OC-6-13)- CAS 916821-46-0 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.

Silicate(4-), [2,5-dioxo-1-pyrrolidinyl 6-[[[3-[(29H,31H-phthalocyanin-1-yl-κN29,κN30,κN31,κN32)oxy]propoxy]carbonyl]amino]hexanoato(2-)]bis[N-[3-[(hydroxy-κO)dimethylsilyl]propyl]-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanaminiumato(4-)]-,sodium (1:4),(OC-6-13)- (CAS 916821-46-0), molecular formula C74H96N12O27S6Si3Na and molecular weight 1885.24 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Silicate(4-), [2,5-dioxo-1-pyrrolidinyl 6-[[[3-[(29H,31H-phthalocyanin-1-yl-κN29,κN30,κN31,κN32)oxy]propoxy]carbonyl]amino]hexanoato(2-)]bis[N-[3-[(hydroxy-κO)dimethylsilyl]propyl]-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanaminiumato(4-)]-,sodium (1:4),(OC-6-13)- (C74H96N12O27S6Si3Na) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 33.0, corresponding to approximately 33 ring(s) or double-bond equivalent(s). With a molecular weight of 1885.24 g/mol, it falls into the high-molecular-weight range. 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).

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 FormulaC74H96N12O27S6Si3 4*Na
Molecular Weight1885.24 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)33.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms12
Sulfur Atoms6

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