Cetiedil citrateProduct ingredient for Cetiedil
- Name
- Cetiedil citrate
- Drug Entry
- Cetiedil
- Accession Number
- DBSALT003351
- Structure
Structure for Cetiedil citrate (DBSALT003351)
- Synonyms
- Not Available
- UNII
- IE65P4OE02
- CAS Number
- 16286-69-4
- Weight
- Average: 541.66
Monoisotopic: 541.234553014 - Chemical Formula
- C26H39NO9S
- InChI Key
- XMGJGSKRRWXOIF-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H31NO2S.C6H8O7/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h10,15-17,19H,1-9,11-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-(thiophen-3-yl)acetate; 2-hydroxypropane-1,2,3-tricarboxylic acid
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.O=C(OCCN1CCCCCC1)C(C1CCCCC1)C1=CSC=C1
- External Links
- KEGG Drug
- D03450
- ChemSpider
- 59758
- ChEMBL
- CHEMBL1968477
- Predicted Properties
Property Value Source logP 5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 99.73 m3·mol-1 Chemaxon Polarizability 40.69 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon