CCL: CAS number to Chemdraw Molecular Structures

 Sent to CCL by: "Tamas Gunda" [tgunda2 * puma.unideb.hu]
When using the Molgrabber module of ChemDoodle, on entering a CAS number you'll get back immediately the structure via Pubchem. You can save it as ChemDraw cdx file from within ChemDoodle (www.chemdoodle.com) 
 Tamas Gunda
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 From: Need47 need47..gmail.com
 
 Sent: Monday, April 16, 2012 22:35 PM
To: Gunda, Gunda Subject: CCL: CAS number to Chemdraw Molecular Structures 
 Hi,
 Not sure whether this would help by looking up CAS via the PubChem database:
 Given a CAS number, say 205692-63-3
Step 1: look up the compound identifier (CID) in the Compound database of the PubChem using http://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?db=pccompound&term=205692-63-3 . This would return an XML file (which is simple to parse) that contains the CID ( 5245728 in this case) if there was a successful retrieval.
Step 2: with a single CID or a list of CIDs, you can use the Download tool (http://pubchem.ncbi.nlm.nih.gov/pc_fetch/pc_fetch.cgi) provided at PubChem to get various structure formats such as SDF at SMILES 
 Step 3: write a script to batch it up.
 
 Tiejun
On Mon, Apr 16, 2012 at 2:09 PM, S SC lcqsigi]~[hotmail.com <owner-chemistry!=cl.net> wrote: 
 Sent to CCL by: "S  SC" [lcqsigi/a\hotmail.com]
 Dear all,
Is there a freeware that is able to convert CAS numbers into Chemdraw-like molecular structures.
That is I am looking for a software that can translate CAS numbers into the chemical structures that are used in published papers (i.e., the 2D structures depicted by the pubchem database). 
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