VilanterolQualityChecker
Vilanterol
Vilanterol Quality Checker — Beta2-Agonist (LABA) (Ph. Eur., USP)
ℹ️ The utility checks assay, enantiomeric purity, oxidation, heavy metals, dissolution profile.
ℹ️ Does not use machine learning — rule-based logic only.
⚠️ CRITICAL! Enantiomer ≤0.2%. Heavy metals ≤10 ppm!
Usage:
VilanterolQualityChecker.exe → demo mode
VilanterolQualityChecker.exe input.csv output.json → evaluate data
Input format:
BatchNumber,Assay_Percent,Melting_Point_Min,Melting_Point_Max,Enantiomer_Impurity_Percent,Oxidized_Impurity_Percent,Hydrolysis_Impurity_Percent,Total_Impurities_Percent,Loss_On_Drying_Percent,Residual_Solvent_Acetonitrile_ppm,Residual_Solvent_Methanol_ppm,Residual_Solvent_Ethanol_ppm,Heavy_Metals_ppm,Sulfated_Ash_Percent,Dissolution_30min_Percent,Dissolution_60min_Percent,Weight_Variation_RSD,Friability_Percent,Microbial_Count_TAMC,Microbial_Count_TYMC,EColi_Detected,Salmonella_Detected
Example:
VIL-SUB-2026-001,99.5,153,157,0.08,0.06,0.05,0.2,0.2,90,400,500,5,0.05,0.0,0.0,0.0,0.0,20,5,0,0
— WHY IS THIS NEEDED?
Vilanterol — long-acting beta2-adrenergic agonist (LABA) for COPD and asthma treatment:
• Chirality: Drug is a chiral molecule. Only one enantiomer is active. Control of the opposite enantiomer is critical (≤0.2%) as it may have different pharmacological activity or toxicity.
• Inhalation Use: Drug is often used in inhalers. Requirements for heavy metals (≤10 ppm) and microbiological purity are stricter than usual due to direct lung delivery.
• Synthesis often involves acetonitrile and alcohols (ICH Q3C Class 2). Limits are strict.
• Drug taken long-term, so stability and purity requirements are very high.
• Dissolution profile is important for ensuring bioavailability (for oral forms or solutions).
⚠️ CRITICAL:
• Assay: 98–102%
• Melting Point: 150–160°C (with decomposition)
• Enantiomer: ≤ 0.2% (Critical!)
• Oxidized Impurity: ≤ 0.2%
• Hydrolysis Impurity: ≤ 0.2%
• Total Impurities: ≤ 0.5%
• Acetonitrile: ≤ 410 ppm
• Methanol: ≤ 3000 ppm
• Ethanol: ≤ 5000 ppm
• Heavy Metals: ≤ 10 ppm
• Dissolution: ≥ 80% in 30 min, ≥ 85% in 60 min
• Microbiology: standard limits
⚠️ Note: Utility adapted for checking specific impurities of chiral drugs and strict heavy metal limits due to inhalation route. If dissolution data absent (0), check skipped (for substance). For finished forms, deviation from dissolution profile is critical defect. Enantiomeric purity control is an absolute safety priority.
input.csv
BatchNumber,Assay_Percent,Melting_Point_Min,Melting_Point_Max,Enantiomer_Impurity_Percent,Oxidized_Impurity_Percent,Hydrolysis_Impurity_Percent,Total_Impurities_Percent,Loss_On_Drying_Percent,Residual_Solvent_Acetonitrile_ppm,Residual_Solvent_Methanol_ppm,Residual_Solvent_Ethanol_ppm,Heavy_Metals_ppm,Sulfated_Ash_Percent,Dissolution_30min_Percent,Dissolution_60min_Percent,Weight_Variation_RSD,Friability_Percent,Microbial_Count_TAMC,Microbial_Count_TYMC,EColi_Detected,Salmonella_Detected VIL-SUB-2026-001,99.5,153,157,0.08,0.06,0.05,0.2,0.2,90,400,500,5,0.05,0.0,0.0,0.0,0.0,20,5,0,0
URS & FS — user requirements and functional specification
This document defines user requirements and functional specification for the quality-control utility. It supports deployment discussion, IQ/OQ preparation and QC workflow integration.
1. Scope
The Vilanterol Quality Checker utility is used for Vilanterol. The actual input.csv is the source of truth for the input structure; control criteria are defined by the executable and the domain description.
The utility does not use machine learning; decisions are produced by deterministic rules.
Categories: Global API expansion
Tags: antivirals, API, biologics, dissolution, essential medicines, global market, heavy metals, impurities, microbiology, oncology
2. Execution modes
VilanterolQualityChecker.exe → demo mode VilanterolQualityChecker.exe input.csv output.json → evaluate data
3. Key controlled areas
- assay / content
- purity and impurities
- dissolution / disintegration
- residual solvents
- microbiology and pathogens
- heavy metals / elemental impurities
- pH and physicochemical parameters
4. Domain limits and critical parameters
- ⚠️ CRITICAL! Enantiomer ≤0.2%. Heavy metals ≤10 ppm!
- Chirality: Drug is a chiral molecule. Only one enantiomer is active. Control of the opposite enantiomer is critical (≤0.2%) as it may have different pharmacological activity or toxicity.
- Inhalation Use: Drug is often used in inhalers. Requirements for heavy metals (≤10 ppm) and microbiological purity are stricter than usual due to direct lung delivery.
- ⚠️ CRITICAL:
- Assay: 98–102%
- Melting Point: 150–160°C (with decomposition)
- Enantiomer: ≤ 0.2% (Critical!)
- Oxidized Impurity: ≤ 0.2%
- Hydrolysis Impurity: ≤ 0.2%
- Total Impurities: ≤ 0.5%
- Acetonitrile: ≤ 410 ppm
- Methanol: ≤ 3000 ppm
- Ethanol: ≤ 5000 ppm
- Heavy Metals: ≤ 10 ppm
- Dissolution: ≥ 80% in 30 min, ≥ 85% in 60 min
- Microbiology: standard limits
- ⚠️ Note: Utility adapted for checking specific impurities of chiral drugs and strict heavy metal limits due to inhalation route. If dissolution data absent (0), check skipped (for substance). For finished forms, deviation from dissolution profile is critical defect. Enantiomeric purity control is an absolute safety priority.
5. URS — user requirements
| ID | Requirement | Criticality | Acceptance criterion |
|---|---|---|---|
| URS-001 | The system shall accept an input.csv file for Vilanterol with the exact columns listed in the “Input data contract” section. | High | A file with the correct header is processed without manual editing; missing mandatory columns produce FAIL/import error. |
| URS-002 | The system shall support execution without arguments in demo mode and execution with input.csv output.json for user data. | Medium | Both execution scenarios produce a predictable result or clear diagnostic error. |
| URS-003 | The system shall perform rule-based controls for: assay / content, purity and impurities, dissolution / disintegration, residual solvents, microbiology and pathogens, heavy metals / elemental impurities, pH and physicochemical parameters. | High | Each controlled parameter receives a status and message; the result does not depend on hidden Excel formulas or ML. |
| URS-004 | The system shall preserve traceability between batch/lot, source values, applied rules and final verdict. | High | Output includes batch identifier, source values, parameter statuses and critical findings. |
| URS-005 | The system shall generate machine-readable output.json for LIMS/ELN/MES, batch record and QA/QC review. | High | JSON contains overall status, check array, warnings, failures and source-file reference. |
| URS-006 | The system shall support use in the client validation package: URS/FS, IQ/OQ preparation, installation and operational scenario checks. | High | The document, test scenarios and reproducible CSV/JSON flow are suitable for audit and internal approval. |
| URS-007 | The system shall clearly separate technical data errors from specification nonconformities. | Medium | Schema/type errors are not mixed with pharmacopoeial deviations and are reported separately. |
6. input.csv data contract
The source of truth for the input schema is the actual input.csv header. Column names are technical identifiers and are not translated.
| # | Column | Type | Unit | Description | Sample | Control rule |
|---|---|---|---|---|---|---|
| 1 | BatchNumber | identifier | as specified | Batch Number | VIL-SUB-2026-001 | mandatory field; used for batch/lot traceability |
| 2 | Assay_Percent | decimal | % | Assay % | 99.5 | numeric value; compared with assay/purity limit from specification or method |
| 3 | Melting_Point_Min | decimal | °C | Melting Point Min | 153 | mandatory numeric value; rule comparison is performed by the utility |
| 4 | Melting_Point_Max | decimal | °C | Melting Point Max | 157 | mandatory numeric value; rule comparison is performed by the utility |
| 5 | Enantiomer_Impurity_Percent | decimal | % | Enantiomer Impurity % | 0.08 | numeric value; compared with individual or total impurity limit |
| 6 | Oxidized_Impurity_Percent | decimal | % | Oxidized Impurity % | 0.06 | numeric value; compared with individual or total impurity limit |
| 7 | Hydrolysis_Impurity_Percent | decimal | % | Hydrolysis Impurity % | 0.05 | numeric value; compared with individual or total impurity limit |
| 8 | Total_Impurities_Percent | decimal | % | Total Impurities % | 0.2 | mandatory numeric value; rule comparison is performed by the utility |
| 9 | Loss_On_Drying_Percent | decimal | % | Loss On Drying % | 0.2 | mandatory numeric value; rule comparison is performed by the utility |
| 10 | Residual_Solvent_Acetonitrile_ppm | decimal | ppm | Residual Solvent Acetonitrile ppm | 90 | numeric value; checked as residual solvent against the applicable limit |
| 11 | Residual_Solvent_Methanol_ppm | decimal | ppm | Residual Solvent Methanol ppm | 400 | numeric value; checked as residual solvent against the applicable limit |
| 12 | Residual_Solvent_Ethanol_ppm | decimal | ppm | Residual Solvent Ethanol ppm | 500 | numeric value; checked as residual solvent against the applicable limit |
| 13 | Heavy_Metals_ppm | decimal | ppm | Heavy Metals ppm | 5 | numeric value; checked as elemental/metal impurity |
| 14 | Sulfated_Ash_Percent | decimal | % | Sulfated Ash % | 0.05 | mandatory numeric value; rule comparison is performed by the utility |
| 15 | Dissolution_30min_Percent | decimal | % | Dissolution 30min % | 0.0 | numeric value; dissolution/disintegration profile checked according to method |
| 16 | Dissolution_60min_Percent | decimal | % | Dissolution 60min % | 0.0 | numeric value; dissolution/disintegration profile checked according to method |
| 17 | Weight_Variation_RSD | decimal | as specified | Weight Variation RSD | 0.0 | mandatory numeric value; rule comparison is performed by the utility |
| 18 | Friability_Percent | decimal | % | Friability % | 0.0 | mandatory numeric value; rule comparison is performed by the utility |
| 19 | Microbial_Count_TAMC | decimal | as specified | Microbial Count TAMC | 20 | numeric value; compared with microbiological limits |
| 20 | Microbial_Count_TYMC | decimal | as specified | Microbial Count TYMC | 5 | numeric value; compared with microbiological limits |
| 21 | EColi_Detected | boolean / flag | 0/1 | EColi Detected | 0 | valid flag required; prohibited organisms and growth are normally expected as 0 / absent |
| 22 | Salmonella_Detected | boolean / flag | 0/1 | Salmonella Detected | 0 | valid flag required; prohibited organisms and growth are normally expected as 0 / absent |
CSV example
BatchNumber,Assay_Percent,Melting_Point_Min,Melting_Point_Max,Enantiomer_Impurity_Percent,Oxidized_Impurity_Percent,Hydrolysis_Impurity_Percent,Total_Impurities_Percent,Loss_On_Drying_Percent,Residual_Solvent_Acetonitrile_ppm,Residual_Solvent_Methanol_ppm,Residual_Solvent_Ethanol_ppm,Heavy_Metals_ppm,Sulfated_Ash_Percent,Dissolution_30min_Percent,Dissolution_60min_Percent,Weight_Variation_RSD,Friability_Percent,Microbial_Count_TAMC,Microbial_Count_TYMC,EColi_Detected,Salmonella_Detected VIL-SUB-2026-001,99.5,153,157,0.08,0.06,0.05,0.2,0.2,90,400,500,5,0.05,0.0,0.0,0.0,0.0,20,5,0,0
7. FS — functional specification
| ID | Function | Implementation description |
|---|---|---|
| FS-001 | CLI entry point | The executable VilanterolQualityChecker.exe supports demo mode and input.csv output.json processing mode. |
| FS-002 | CSV parser | The import module reads CSV, validates header, column presence/order, value count and encoding. Decimal values are expected with a dot separator. |
| FS-003 | Field conversion | Each column is converted to the expected type: identifier, text, decimal number, date/time or boolean flag. |
| FS-004 | Domain rule engine | For Vilanterol, explicit rules are applied: range, minimum, maximum, absence of prohibited flag, data completeness or calculation-based check. |
| FS-005 | Criticality handling | Critical violations produce FAIL; non-critical deviations and incomplete data produce WARNING; full conformance produces PASS. |
| FS-006 | JSON writer | output.json stores overall status, per-parameter results, source values, warnings, failures and diagnostic messages. |
| FS-007 | Integration contract | The CSV → JSON format is stable for invocation from LIMS/ELN/MES, scheduled task or wrapper service. |
| FS-008 | Error handling | Schema error, missing file, non-numeric value or JSON write failure returns diagnosable error without silent PASS. |
8. output.json contract
The output file must be suitable for automated processing, audit review and correlation with the source input.csv row.
{
"utility": "VilanterolQualityChecker",
"api": "Vilanterol",
"batchNumber": "VIL-SUB-2026-001",
"overallStatus": "PASS|WARNING|FAIL",
"checkedAtUtc": "2026-05-18T00:00:00Z",
"checks": [
{
"parameter": "BatchNumber",
"value": "VIL-SUB-2026-001",
"unit": "as specified",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Assay_Percent",
"value": "99.5",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Melting_Point_Min",
"value": "153",
"unit": "°C",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Melting_Point_Max",
"value": "157",
"unit": "°C",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Enantiomer_Impurity_Percent",
"value": "0.08",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Oxidized_Impurity_Percent",
"value": "0.06",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Hydrolysis_Impurity_Percent",
"value": "0.05",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
},
{
"parameter": "Total_Impurities_Percent",
"value": "0.2",
"unit": "%",
"status": "PASS|WARNING|FAIL",
"message": "Rule-based check result"
}
],
"criticalFindings": [],
"sourceFile": "input.csv"
}9. OQ/PQ test scenarios
| ID | Scenario | Expected result |
|---|---|---|
| TC-001 | Valid CSV with expected header and sample row | All rows are processed; output contains PASS/WARNING/FAIL and parameter-level detail. |
| TC-002 | A mandatory input.csv column is missing | Import is rejected or the row receives FAIL with schema reference. |
| TC-003 | A numeric field contains text or a blank value | Type conversion error is recorded; the result is not hidden as PASS. |
| TC-004 | A parameter is outside specification or critical limit | Critical parameters produce FAIL; non-critical deviations produce WARNING according to the rule. |
| TC-005 | Positive pathogen/microbiological flag or microbiological limit excursion | Critical FAIL is produced with the offending parameter. |
| TC-006 | Insufficient dissolution or excessive disintegration time | FAIL/WARNING is produced according to method criticality. |
| TC-007 | Residual solvent above applicable limit | FAIL is produced with solvent name and measured value. |
10. QA/QC, CSV and change control
- Before production use, the client records executable version, checksum, specification/monograph version, test CSV, expected JSON and IQ/OQ results.
- Column names must not be changed without updating the validator and test scenarios.
- The source CSV, output.json and utility version should be stored together as an evidence package.
- Any change in control rules must go through change control and repeated OQ scenario verification.