(6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate CAS 868540-15-2
| CAS No. | 868540-15-2 |
| Molecular Formula | C37H47N3O6 |
| Molecular Weight | 629.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 629.79 g/mol gives (6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate (CAS 868540-15-2), a certified reference material (molecular formula C37H47N3O6, MW 629.79 g/mol) for analytical method development and quality control.
The molecular framework of (6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate (C37H47N3O6) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), (6S,9S,12S)-Benzyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate 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 Formula | C37H47N3O6 |
| Molecular Weight | 629.79 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
Recommended Standards
- 9,9-Dimethyl-N,N-diphenyl-7-(4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-9H-fluoren-2-amine (CAS 1705571-72-7)
- 6,6'-(6-(2,4-Dibutoxyphenyl)-1,3,5-triazine-2,4-diyl)bis(3-butoxyphenol) (CAS 208343-47-9)
- tert-Butyl 1-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxahexatriacontan-36-oate (CAS 2428400-08-0)
- Tebipenem Pivoxil Impurity 12 (CAS CATO-C4X-134712)
- 4-Benzyl-2-(piperidin-1-ylmethyl)morpholine (CAS 874881-17-1)
- 4-(4-Chlorophenyl)tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide (CAS 2490709-15-2)
- (2-Bromo-6-(difluoromethyl)-3-nitropyridin-4-yl)methanamine (CAS 1805378-37-3)
- 3-[4-(Benzyloxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 696649-46-4)
- 2,6-Dichloro-7-isopropyl-7H-purine (CAS 953018-13-8)
- Atrasentan Impurity 181 (CAS 1073590-82-5)
- 2-Methyl-1H-benzo[d]imidazol-7-ol (CAS 94977-60-3)
- 78539-91-0 7-Methyl[1,2,3]triazolo[1,5-a]pyridine DTXSID80508933 (CAS 78539-91-0)
- Chlormerodrin (CAS 62-37-3)
- Semaglutide Impurity 146 (CAS 2645421-68-5)
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