3-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile CAS 165754-55-2

Purity 97%+In StockPharmaceutical Standards
CAS No.165754-55-2
Molecular FormulaC53H84N8O9
Molecular Weight977.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile CAS 165754-55-2 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-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile.

3-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile (CAS 165754-55-2) is a high-purity analytical reference standard with the molecular formula C53H84N8O9 and a molecular weight of 977.28 g/mol.

Structurally, 3-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile (C53H84N8O9) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 977.28 g/mol, it falls into the high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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-((2R,5S,8S,11S,14S,17S,20S)-8,11-Diisobutyl-14-((1-methoxy-1H-indol-3-yl)methyl)-7,13,19,20-tetramethyl-5,17-bis((R)-2-methylhexyl)-3,6,9,12,15,18,21-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclohenicosan-2-yl)propanenitrile 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 FormulaC53H84N8O9
Molecular Weight977.28 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.)2004
Nitrogen Atoms8

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