SODIUM TETRADECYL SULFATE


Trade Names	SOTRADECOL
Synonyms	Fibro-vein Fibrovein NSC-755887 S.t.d. Sodium tetradecyl sulfate Sodium tetradecyl sulphate Sotradecol
Status
Molecule Category	Salt-form
ATC	C05BB04
UNII	Q1SUG5KBD6
EPA CompTox	DTXSID3041530


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	FVEFRICMTUKAML-UHFFFAOYSA-M
Smiles	CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H29NaO4S
Molecular Weight	316.44
AlogP	4.22
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	63.6
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	19.0

Cross References

Resources	Reference
ChEBI	75273
ChEMBL	CHEMBL1200354
DrugBank	DB00464
FDA SRS	Q1SUG5KBD6
PubChem	23665772
SureChEMBL	SCHEMBL136017

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).