Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNAP001528

Drug Information
NameGestrinone
Trade NameDimetrose
CompanySarsa
IndicationAntiprogestogenicApproved    
Structure

Click to save drug structure in 3D MOL format

Click to save drug structure in 2D MOL format
InChI1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20
)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,1
9+,20+,21+/m1/s1
InChIKeyBJJXHLWLUDYTGC-ANULTFPQSA-N
Canonical SMILESCCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O    
Isomeric SMILESCC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O
CAS NumberCAS 16320-04-0
FormulaC21H24O2
PubChem Compound IDCID 27812.
SuperDrug ATC IDG03XA02
Targetestrogen receptor[1]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference



 

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.


Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543