rel-(5R,7R)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol Hydrochloride CAS 371980-94-8
| CAS No. | 371980-94-8 |
| Molecular Formula | C24H29Cl2NO |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of rel-(5R,7R)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol Hydrochloride is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
rel-(5R,7R)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol Hydrochloride (CAS 371980-94-8), molecular formula C24H29Cl2NOHCl and molecular weight 454.86 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, rel-(5R,7R)-7-[[4-(2,6-Dichlorophenyl)-1-piperidinyl]methyl]-6,7,8,9-tetrahydro-1-methyl-5H-benzocyclohepten-5-ol Hydrochloride is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 454.86 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C24H29Cl2NO HCl |
| Molecular Weight | 454.86 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 2-Methyl-5-(4-pentylbenzoyl)pyridine (CAS 1187171-83-0)
- 8-chloro-3-iodo-4-methoxy-1,7-naphthyridine (CAS 1812220-09-9)
- Tetramethylsilane-d12 (CAS 18145-38-5)
- (E)-4-Methyl-5-(2-(3-(trifluoromethyl)phenyl)hydrazono)thiazol-2(5h)-imine (CAS 304692-05-5)
- 3-Cyclohexene-1-methanol Methanesulfonate (CAS 108541-48-6)
- 8-Iodooct-1-ene (CAS 38380-55-1)
- 4-Chloro-3-iodo-6-(trifluoromethyl)quinoline (CAS 1431364-46-3)
- N-(3-Hydroxycyclohexyl)benzamide (CAS 13941-94-1)
- N-(6-Amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thiophene-2-carboxamide (CAS 941869-12-1)
- Tirzepatide Impurity 48 (CAS CATO-C4X-324048)
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