`identify`

Pack: cactus · Endpoint: https://gateway.pipeworx.io/cactus/mcp

NCI CACTUS one-shot lookup: given any chemical identifier (name, CAS, SMILES, InChI, or InChIKey), return SMILES, InChIKey, IUPAC name, molecular formula, molecular weight, and CAS number in a single call. Fields that cannot be resolved are returned as null. Keyless, plain-text API.

Parameters

Name	Type	Required	Description
`identifier`	string	yes	Chemical name, CAS number, SMILES, InChI, or InChIKey (e.g. “ibuprofen”, “15687-27-1”).

Example call

Arguments

{
  "identifier": "ibuprofen"
}

curl

curl -X POST https://gateway.pipeworx.io/cactus/mcp \
  -H 'Content-Type: application/json' \
  -d '{"jsonrpc":"2.0","id":1,"method":"tools/call","params":{"name":"identify","arguments":{"identifier":"ibuprofen"}}}'

TypeScript (@pipeworx/sdk)

import { Pipeworx } from '@pipeworx/sdk';
const pipeworx = new Pipeworx();

const result = await pipeworx.call('identify', {
  "identifier": "ibuprofen"
});

More examples

{
  "identifier": "CC(=O)Oc1ccccc1C(O)=O"
}

Connect

Add this to your MCP client config, or use one-click install buttons:

{
  "mcpServers": {
    "cactus": {
      "url": "https://gateway.pipeworx.io/cactus/mcp"
    }
  }
}

See Getting Started for client-specific install steps.

identify