pubchem_mcp_server (npm / TypeScript)

MCP server for extracting drug basic chemical information from PubChem API.

This is the TypeScript/npm version of pubchem_mcp_server (PyPI), with identical functionality.

Requirements

• Node.js >= 18

Installation

npm install -g pubchem_mcp_server

Usage

Run directly

pubchem_mcp_server

Use with MCP Inspector

npx -y @modelcontextprotocol/inspector pubchem_mcp_server

Configure in Claude Desktop / Cursor

{
  "mcpServers": {
    "pubchem": {
      "command": "npx",
      "args": ["pubchem_mcp_server"]
    }
  }
}

Tools

get_chemical_info

Get detailed chemical information by name.

Input: { "name": "aspirin" }

search_chemical_by_cas

Search chemical information by CAS number.

Input: { "cas_number": "50-78-2" }

get_cid_by_name

Get PubChem CID by chemical name.

Input: { "name": "aspirin" }

Example Output

{
  "drug_name": "Aspirin",
  "CAS Number": "50-78-2",
  "Molecular Weight": "180.16",
  "Molecular Formula": "C9H8O4",
  "Smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
  "Synonyms": [
    "2-(Acetyloxy)benzoic Acid",
    "Acetylsalicylic Acid",
    "Aspirin"
  ],
  "InchI Key": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
  "IUPAC Name": "2-acetyloxybenzoic acid",
  "ATC Code": "N02BA01",
  "status": "success",
  "reference_links": "https://pubchem.ncbi.nlm.nih.gov/compound/2244"
}

Development

npm install
npm run build
npm start