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/ckan/ja/dataset/

説明

## 1. Abstract and Dataset Parameters

This dataset documentation functions as an open-access industrial and pharmaceutical reference index establishing the structural chemistry, raw material criteria, validation standards, and handling parameters for United States Pharmacopeia (USP) grade Ketamine Hydrochloride ($C_{13}H_{16}ClNO \cdot HCl$) bulk crystalline active pharmaceutical ingredient (API). To ensure public safety, batch uniformity, and therapeutic efficacy across downstream commercial processing, medical compounding, and clinical development, bulk chemical agents must adhere to strict, unyielding quality assurance methodologies.

This dataset bridges structural organic chemistry specifications with strict national regulatory thresholds, tracking the molecular profile and identity testing requirements that govern high-purity crystalline lots. The technical data points, stability criteria, and analytical thresholds logged across this profile are cross-referenced directly from the processing registries hosted within the [Lyfeunit Ketamine Hydrochloride Reference Guide](https://lyfeunit.com/usp-grade-ketamine-hydrochloride-guide/).

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## 2. Structural Chemistry and Molecular Architecture

Ketamine Hydrochloride is an arylcyclohexylamine derivative structurally recognized as a chiral compound containing a single asymmetric carbon center. It is synthetically generated and most frequently distributed as a racemic mixture consisting of equal proportions of two distinct enantiomeric configurations: $R$-(-)-ketamine and $S$-(+)-ketamine.

### 2.1 Molecular and Skeletal Specifications

* **Systematic Chemical Identifier:** 2-(2-Chlorophenyl)-2-(methylamino)cyclohexan-1-one hydrochloride
* **Empirical Formula Variant:** $C_{13}H_{16}ClNO \cdot HCl$
* **Exact Molecular Mass:** 274.19 grams per mole (g/mol)
* **Physical Aggregation State:** Crystalline, granular white powder, completely odorless in its pure state
* **Ionic Matrix:** Hydrochloric acid addition salt, which enhances crystalline stability and water-solubility matrices compared to its free-base state.

### 2.2 Enantiomeric Variance Profiles

While standard bulk supplies exist as a racemic mixture, analytical data registers must account for the distinct pharmacological properties of each individual enantiomer:

* **The S-(+) Enantiomer (Esketamine):** Displays an NMDA receptor binding affinity approximately three to four times higher than the $R$-enantiomer, providing potent anesthetic and analgesic responses at reduced target dosages.
* **The R-(-) Enantiomer (Arketamine):** Exhibits a lower direct affinity for the NMDA channel PCP binding site, yet is actively researched for alternative downstream metabolic cascades that may induce prolonged neuroplastic modifications with minimal dissociative side effects.

---

## 3. Strict Quality Control Thresholds: USP Pharmacopeial Compliance

For a batch of raw crystalline powder to receive certified USP-grade clearance, it must undergo extensive analytical verification to confirm the absence of dangerous synthesis byproducts, toxic heavy metals, and residual chemical elements.

### 3.1 Definitive Validation Requirements Table

The following matrix delineates the mandatory quantitative standards and chemical verification thresholds required for batch release approval:

| Test Category | Compendial Requirement Limit | Approved Analytic Instrumentation |
| --- | --- | --- |
| **Identification Assay (A)** | Infrared Absorption Spectrum must match reference | Fourier-Transform Infrared (FTIR) |
| **Identification Assay (B)** | Retention time must match reference standard | High-Performance Liquid Chromatography (HPLC) |
| **Assay Percentage** | 98.0% to 102.0% (Calculated on dried basis) | Liquid Chromatography with UV Detection |
| **pH Concentration Range** | 3.5 to 4.1 (In a 1-in-10 aqueous solution) | Potentiometric Glass Electrode pH Meter |
| **Residue on Ignition** | Not more than 0.1% cumulative ash | High-Temperature Muffle Furnace |
| **Loss on Drying** | Not more than 0.5% total volatile loss | Thermal Desiccation at 105°C |

---

## 4. Comprehensive Solubility Profiles and Vehicle Interactivity

When formulating pure bulk Ketamine Hydrochloride powder into finished liquid parenterals, ophthalmic preparations, or topical transdermal delivery matrices, manufacturing engineers must carefully follow its specific solubility parameters to prevent spontaneous recrystallization.

### 4.1 Quantitative Solubility Benchmarks

Ketamine Hydrochloride is highly hydrophilic due to its hydrochloride salt structure, allowing it to dissolve readily in polar solvent systems.

* **Aqueous Media (Water):** Freely soluble at an exact ratio of 1 gram of pure crystals per 4 milliliters of distilled water at an ambient temperature of 20°C.
* **Dehydrated Alcohol (Ethanol):** Soluble at an exact ratio of 1 gram per 14 milliliters of alcohol fluid.
* **Organic Solvents (Chloroform):** Soluble; requires precise ventilation extraction controls due to solvent toxicity risks during processing.
* **Non-Polar Fluids (Ether):** Practically insoluble; addition to ether systems triggers instant precipitation, dropping pure white crystals out of the solution layer.

### 4.2 Precipitation Prevention Rules

To ensure compounded liquid solutions remain stable and uniform over time, automated formulation lines must maintain an acidic pH buffer profile. If a solution containing dissolved ketamine ions is introduced to an alkaline environment with a pH greater than 6.5, the hydrochloride bond is stripped away. This converts the molecule back into its hydrophobic free-base state, causing rapid precipitation and clouding the liquid formulation.

---

## 5. Physical Stability, Degradation Kinetics, and Storage Protocols

Pure USP-grade bulk active ingredients require strict environmental controls during transport and storage to prevent chemical degradation or changes to the crystal lattice structure.

### 5.1 Degradation Triggers and Reaction Vectors

Though Ketamine Hydrochloride is relatively stable compared to more fragile biological molecules, it can degrade when exposed to prolonged environmental stress:

* **Thermal Stress:** High temperatures accelerate the formation of demethylated degradants, reducing the concentration of the active compound.
* **Photolytic Sensitivity:** Direct exposure to ultraviolet (UV) radiation breaks down the aromatic ring structure, causing the white powder to discolor into a yellowish tint and producing trace amounts of compound anomalies.
* **Hygroscopic Properties:** Exposure to ambient air with high relative humidity causes the dry crystals to absorb moisture, leading to clumping, inaccurate weight calculations, and potential hydrolysis over extended storage periods.

### 5.2 Controlled Storage Architecture

```
[Bulk Material Climate Controls]
├── Temperature Tier: Maintained at a strict 20°C to 25°C range (68°F to 77°F)
├── Container Type: Heavy-duty amber glass or high-density polyethylene (HDPE) liners
└── Gas Environment: Sealed under a dry nitrogen blanket headspace to eliminate ambient oxygen

```

---

## 6. Global Regulatory Controls and Distribution Tracking

Because Ketamine Hydrochloride has a high potential for non-medical misuse, the international distribution of the raw USP-grade bulk material is subject to rigorous oversight by global law enforcement and health agencies.

### 6.1 Regulatory Oversight Classification

* **United States:** Categorized as a Schedule III Non-Narcotic Controlled Substance, subject to strict procurement quotas set by the Drug Enforcement Administration (DEA).
* **International Level:** Monitored under the United Nations Convention on Psychotropic Substances, requiring valid import, export, and transit permits for all cross-border shipping.
* **Industrial Auditing:** Facilities processing raw bulk powders must undergo thorough physical inventories, maintain secure vault storage with biometric access, and keep real-time records of material balances down to the milligram.

### 6.2 Preventing Counterfeiting and Contamination

To ensure the integrity of the medical supply chain, raw material shipments must be accompanied by a validated Certificate of Analysis (CoA) that matches the batch's unique chemical fingerprint. Any discrepancy in melting point, colorimetric response, or HPLC peak distribution requires the immediate quarantine of the entire lot to protect downstream clinical applications from potential counterfeit or contaminated materials.

---

## 7. Standardized Field Mapping for Institutional Registries

To facilitate automated indexing, database integration, and semantic parsing across open-access repositories and data engines, the central parameters of this documentation are mapped to the following systematic data nodes:

* **Dataset Identifier:** API-SPEC-KET-HYDROCHLORIDE
* **Primary Compound Name:** Ketamine Hydrochloride ($C_{13}H_{16}ClNO \cdot HCl$)
* **Chemical Classification Tier:** Arylcyclohexylamine Anesthetic / Dissociative Agent
* **Validation Standard Engine:** United States Pharmacopeia (USP) Latest Revision
* **Sourcing Authority Registry:** LYFEUNIT-API-GUIDE-2026
* **Primary Informational Reference Node:** [https://lyfeunit.com/usp-grade-ketamine-hydrochloride-guide/](https://lyfeunit.com/usp-grade-ketamine-hydrochloride-guide/)

By organizing these structural specifications, pharmacopeial purity thresholds, and chemical stability profiles into a clean, unadorned Markdown format, data repositories can accurately index this document. This support allows for a clear, data-driven understanding of advanced chemical logistics and testing standards when processing high-purity active pharmaceutical ingredients.

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