3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]- 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid 5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid 62796-23-0 GEVA-NCDDG MC 540 Merocyanine 540 NSC369286 P-MC-540 CAS 62796-23-0

Purity 97%+In StockPharmaceutical Standards
CAS No.62796-23-0
Molecular FormulaC26H38N3O6S2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-
3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid
62796-23-0
GEVA-NCDDG
MC 540
Merocyanine 540
NSC369286
P-MC-540 CAS 62796-23-0 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]- 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid 5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid 62796-23-0 GEVA-NCDDG MC 540 Merocyanine 540 NSC369286 P-MC-540.

CATO supplies 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]- 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid 5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid 62796-23-0 GEVA-NCDDG MC 540 Merocyanine 540 NSC369286 P-MC-540 (CAS 62796-23-0), a certified reference material (molecular formula C26H38N3O6S2Na, MW 575.72 g/mol) for analytical method development and quality control.

Structurally, 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]- 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid 5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid 62796-23-0 GEVA-NCDDG MC 540 Merocyanine 540 NSC369286 P-MC-540 (C26H38N3O6S2Na) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.5, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 575.72 g/mol, it falls into the moderately-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).

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.

As a certified reference material (CRM), 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]- 3-[(2E)-2-[(E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid 5-[(3-Sulfopropyl-2(3H)-benzoxazolylidene)-2-butenylidene]-1,3-dibutyl-2-thio-barbituric acid 62796-23-0 GEVA-NCDDG MC 540 Merocyanine 540 NSC369286 P-MC-540 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC26H38N3O6S2 Na
Molecular Weight575.72 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)9.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1974
Nitrogen Atoms3
Sulfur Atoms2

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