2-(Furan-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile CAS 95059-25-9
| CAS No. | 95059-25-9 |
| Molecular Formula | C17H14N4O3 |
| Molecular Weight | 322.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(Furan-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(Furan-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile (CAS 95059-25-9), molecular formula C17H14N4O3 and molecular weight 322.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Furan-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile (C17H14N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 322.32 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C17H14N4O3 |
| Molecular Weight | 322.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- (Z)-4-(2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid (CAS 314291-25-3)
- 3-(5-(4-Nitrophenyl)-1,3,4-oxadiazol-2-yl)-2-thioxothiazolidin-4-one (CAS 62329-51-5)
- Tert-butyl 2-(2-aminopyrimidin-4-yl)pyrrolidine-1-carboxylate (CAS 1197850-17-1)
- 1-(3-chlorophenyl)propan-2-amine hydrochloride (CAS 35378-15-5)
- N1-((3-((4-Fluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-methyloxalamide (CAS 868982-86-9)
- 5-Amino-2-(hydroxymethyl)phenol (CAS 40463-78-3)
- Ertapenem Impurity 37 (CAS CATO-C4X-163337)
- (E/Z)-Chlorprothixene-d6 Hydrochloride (Mixture) (CAS 1246832-91-6)
- 6-[3-(2H-1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2,3,4,5-tetrahydropyridazin-3-one (CAS 1260992-61-7)
- 2-Propenoic acid, 2-methyl-, methyl ester, polymer with 1,1-dichloroethene (CAS 25120-29-0)
- 2-(2-Chloro-4-formyl-6-methoxyphenoxy)-N-(4-chlorophenyl)acetamide (CAS 792945-82-5)
- Neuroendocrine Regulatory Peptide-1 (rat) (CAS 954420-51-0)
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