(4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide CAS 1005411-72-2
| CAS No. | 1005411-72-2 |
| Molecular Formula | C21H32NO6 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide (CAS 1005411-72-2), molecular formula C21H32NO6Br and molecular weight 474.39 g/mol, is a CATO reference standard with documented purity and traceability.
(4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide (C21H32NO6Br) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
CATO manufactures (4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H32NO6 Br |
| Molecular Weight | 474.39 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2R,3R,4aR,5S,8S,8aS)-5-benzyloxy-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol (CAS 550346-02-6)
- 2-(6-Amino-4-methylpyridin-3-yl)piperidine-1-carbaldehyde (CAS 1352538-82-9)
- 2-(2-((3,4-Dichlorobenzyl)oxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2246826-36-6)
- 4-(2-Bromo-4-fluorophenyl)butan-2-one (CAS 1099621-25-6)
- 8-Amino-2-(trifluoromethyl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one (CAS 569353-07-7)
- 2-(4-Hydroxyphenyl)pyrimidine-5-carboxylic acid (CAS 142603-90-5)
- Upadacitinib Impurity 17 (CAS 1201186-54-0)
- Methyl 3,4-dibromo-5-methylbenzoate (CAS 1160574-54-8)
- 8-Acetyl-4-methyl-1,2,3,4-tetrahydroquinoxaline-6-carbaldehyde (CAS 89334-35-0)
- Des-Ser34-Gly33Tirzepatide (CAS CATO-CPTD788941)
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