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1191-50-0 molecular structure
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(tetradecyloxy)sulfonic acid

ChemBase ID: 347
Molecular Formular: C14H30O4S
Molecular Mass: 294.4506
Monoisotopic Mass: 294.18648044
SMILES and InChIs

SMILES:
S(=O)(=O)(OCCCCCCCCCCCCCC)O
Canonical SMILES:
CCCCCCCCCCCCCCOS(=O)(=O)O
InChI:
InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKey:
URLJMZWTXZTZRR-UHFFFAOYSA-N

Cite this record

CBID:347 http://www.chembase.cn/molecule-347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(tetradecyloxy)sulfonic acid
IUPAC Traditional name
sodium tetradecyl sulfate
Brand Name
Niaproof-4
Tergitol-4
Texapon K 14
Sotradecol
Synonyms
Tetradecyl sulfuric Acid
Tetradecyl sulfate
Tetradecyl sodium sulfate
Tetradecyl hydrogen sulphate
Sodium myristyl sulfate
S.T.D.
STD
Monotetradecylsulfate sodium salt
Sodium Tetradecyl Sulfate
CAS Number
1191-50-0
PubChem SID
160963810
46505919
PubChem CID
5248

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB00464 external link
PubChem 5248 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -1.4508551  H Acceptors
H Donor LogD (pH = 5.5) 2.9296072 
LogD (pH = 7.4) 2.9295957  Log P 5.3059945 
Molar Refractivity 78.1367 cm3 Polarizability 31.836653 Å3
Polar Surface Area 63.6 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 
Log P 2.59  LOG S -5.05 
Solubility (Water) 2.62e-03 g/l 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00464 external link
Item Information
Drug Groups approved
Description An anionic surface-active agent used for its wetting properties in industry and used in medicine as an irritant and sclerosing agent for hemorrhoids and varicose veins.
Indication For the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves.
Pharmacology Sodium tetradecyl sulfate is an anionic surfactant which occurs as a white, waxy solid. It is used as a sclerosing agent in sclerotherapy. Sclerotherapy is an injection of a sclerosing agent directly through the skin into a lesion and is used primarily for slow-flow vascular anomalies, particularly for venous malformation and lymphatic malformation. Intravenous injection causes intima inflammation and thrombus formation. This usually occludes the injected vein. Subsequent formation of fibrous tissue results in partial or complete vein obliteration that may or may not be permanent.
Toxicity LD50=1250 mg/kg (Orally in rat); LD50=3 ml/kg (Skin in rat)
Affected Organisms
Humans and other mammals
External Links
RxList
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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