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ACTIVE PHARMA INGREDIENTS

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Also known as: Tetradecyl sulfuric acid, 4754-44-3, 1-tetradecanol, hydrogen sulfate, Tetradecyl hydrogen sulphate, 1-tetradecanol hydrogen sulfate, 6voc18eibh

Molecular Formula

C₁₄H₃₀O₄S

Molecular Weight

294.45 g/mol

InChI Key

URLJMZWTXZTZRR-UHFFFAOYSA-N

FDA UNII

6VOC18EIBH

1 2D Structure

Myristyl Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetradecyl hydrogen sulfate

2.1.2 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)

2.1.3 InChI Key

URLJMZWTXZTZRR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCOS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

6VOC18EIBH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Tetradecyl Sulfuric Acid

2. 4754-44-3

3. 1-tetradecanol, Hydrogen Sulfate

4. Tetradecyl Hydrogen Sulphate

5. 1-tetradecanol Hydrogen Sulfate

6. 6voc18eibh

7. Tetradecyl Sodium Sulfate

8. 1-tetradecanol, 1-(hydrogen Sulfate)

9. S.t.d.

10. Monotetradecylsulfate Sodium Salt

11. Sodium Myristyl Sulphate

12. N-tetradecyl Sulfate

13. Unii-6voc18eibh

14. Tetradecylsulfat

15. Tetradecylsulfate

16. Sulfuric Acid Monotetradecyl Ester

17. Tetradecyl Sulphate

18. Einecs 225-281-9

19. Tetradecyl Sodium Sulphate

20. (tetradecyloxy)sulfonic Acid

21. Schembl28993

22. Chembl1208306

23. Dtxsid8041292

24. Monotetradecylsulphate Sodium Salt

25. Chebi:135234

26. Zinc6845654

27. Q20817018

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₃₀O₄S
Molecular Weight	294.45 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	294.18648061 g/mol
Monoisotopic Mass	294.18648061 g/mol
Topological Polar Surface Area	72 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Information

1 of 1
Drug Name	Sotradecol
PubMed Health	Sodium Tetradecyl Sulfate
Drug Classes	Sclerosing Agent
Active Ingredient	Sodium tetradecyl sulfate
Dosage Form	Injectable
Route	Injection
Strength	60mg/2ml (30mg/ml); 20mg/2ml (10mg/ml)
Market Status	Prescription
Company	Mylan Institutional

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