1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI) CAS 117770-66-8
| CAS No. | 117770-66-8 |
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI).
1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI) (CAS 117770-66-8) is a high-purity analytical reference standard with the molecular formula C16H22N2O3C4H6O6 and a molecular weight of 440.45 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (9CI) is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 440.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 Formula | C16H22N2O3 C4H6O6 |
| Molecular Weight | 440.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 2 |
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- 3-Iodo-6,7-dihydro-5H-cyclopenta[b]pyridine (CAS 1259223-96-5)
- N-(2-Aminoethyl)-3-(trifluoromethyl)aniline hydrochloride (CAS 1203579-21-8)
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- 4-Ethoxy-2,5-difluoroaniline (CAS 897732-31-9)
- Z-Phe-pNA (CAS 19647-71-3)
- tert-Butyl tetrahydro-2H-pyrrolo[3,4-d]isothiazole-5(3H)-carboxylate 1,1-dioxide (CAS 1823230-79-0)
- (3AR,6aS)-5-benzylhexahydro-1H-furo[3,4-c]pyrrole (CAS 55129-06-1)
- Palmitoyl Hexapeptide-12 TFA salt (CAS 171263-26-6(Free Base))
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