3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid CAS 1796931-77-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1796931-77-5
Molecular FormulaC18H13I3N2O7
Molecular Weight750.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid CAS 1796931-77-5 chemical structure

Description

The occurrence of 3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid (CAS 1796931-77-5), molecular formula C18H13I3N2O7 and molecular weight 750.02 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid (C18H13I3N2O7) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 750.02 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 3-[(2-(Benzyloxycarbonyl)aminoacetyl)amino]-2,4,6-triiodoisophthalic Acid 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 FormulaC18H13I3N2O7
Molecular Weight750.02 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1994
Halogen ContentI-containing
Nitrogen Atoms2

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