CE9

DODECYL NONA ETHYLENE GLYCOL ETHER

Created:	1999-07-08
Last modified:	2020-06-05

Find Related PDB Entry
3 entries where CE9 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	102
Chiral Atom Count	0
Bond Count	101
Aromatic Bond Count	0

2D diagram of CE9

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	DODECYL NONA ETHYLENE GLYCOL ETHER
Synonyms	POLYDOCANOL; THESIT
Systematic Name (OpenEye OEToolkits)	2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula	C₃₀ H₆₂ O₁₀
Molecular Weight	582.807
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI	InChI	1.03	InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChIKey	InChI	1.03	ONJQDTZCDSESIW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06811
Name	Polidocanol
Groups	approved
Description	Polidocanol is a sclerosing agent indicated to treat uncomplicated spider veins (varicose veins ≤1 mm in diameter) and uncomplicated reticular veins (varicose veins 1 to 3 mm in diameter) in the lower extremity. It is marketed under the brand names Asclera and Varithena. The formula for Polidocanol has the structural formula C12H25(OCH2CH2)nOH, a mean extent of polymerization (n) of approximately 9 and a mean molecular weight of approximately 600.
Synonyms	Macrogol 9 lauryl ether Polyoxyl 9 lauryl ether Nonaethylene glycol monolauryl ether Laureth-9 Aethoxy-sklerol Nonaethylene glycol monododecyl ether Polydocanol PEG-9 lauryl ether Polyethylene glycol 450 lauryl ether Laureth 9 Polidocanol
Brand Names	Varithena Asclera
Indication	Polidocanol is a sclerosing agent indicated to treat uncomplicated spider veins and uncomplicated reticular veins in the lower extremity.
Categories	Alcohols Antivaricose Therapy Cardiovascular Agents Compounds used in a research, industrial, or household setting Detergents Ethylene Glycols Glycols Household Products Macromolecular Substances Pegylated agents Pharmaceutical Preparations Pharmaceutical Solutions Polyethylene Glycols Polymers Sclerosing Activity Sclerosing Agents for Local Injection Sclerosing Solutions Solutions Surface-Active Agents Vascular Sclerosing Activity Vasoprotectives
ATC-Code	C05BB02
CAS number	9002-92-0

Related Resource References

Resource Name	Reference
PubChem	656641
ChEMBL	CHEMBL1231723
ChEBI	CHEBI:46859

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.