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Chemistry

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Also known as: Hydroxyethylcellulose, Cellulose hydroxyethyl ether, 2-hydroxyethyl cellulose ether, Db11602

Molecular Formula

C₃₆H₇₀O₁₉

Molecular Weight

806.9 g/mol

InChI Key

DFJVHKAPIXJTSC-UHFFFAOYSA-N

Hydroxyethyl cellulose is a polysaccharide derivative with gel thickening, emulsifying, bubble-forming, water-retaining and stabilizing properties. It is used as a key ingredient in many household cleaning products, lubricants and cosmetics due to its non-ionic and water-soluble nature. It is often used as an ingredient in ophthalmic pharmaceutical preparations such as artificial tear solutions and adjunct agent in topical drug formulations to facilitate the delivery of drugs with hydrophobic character.

1 2D Structure

Hydroxyethyl Cellulose

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[3,4,5-tris(2-hydroxypropoxy)-6-[4,5,6-tris(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]propan-2-ol

2.1.2 InChI

InChI=1S/C36H70O19/c1-19(37)9-45-17-27-29(47-11-21(3)39)31(48-12-22(4)40)34(51-15-25(7)43)36(54-27)55-30-28(18-46-10-20(2)38)53-35(52-16-26(8)44)33(50-14-24(6)42)32(30)49-13-23(5)41/h19-44H,9-18H2,1-8H3

2.1.3 InChI Key

DFJVHKAPIXJTSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(COCC1C(C(C(C(O1)OC2C(OC(C(C2OCC(C)O)OCC(C)O)OCC(C)O)COCC(C)O)OCC(C)O)OCC(C)O)OCC(C)O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Aldiamed

2. Hydroxyethylcellulose

3. Hydroxyethylcellulose, Sodium Salt

4. Hydroxyl Ethyl Cellulose

5. Lacrigel

6. Minims Artificial Tears

7. Natrosol 250

2.2.2 Depositor-Supplied Synonyms

1. Hydroxyethylcellulose

2. Cellulose Hydroxyethyl Ether

3. 2-hydroxyethyl Cellulose Ether

4. Db11602

2.3 Create Date

2005-09-14

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₇₀O₁₉
Molecular Weight	806.9 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	28
Exact Mass	806.45113000 g/mol
Monoisotopic Mass	806.45113000 g/mol
Topological Polar Surface Area	263 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	986
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

For alleviating surface irritation in topical ocular administrations, such as artificial tear solutions. Hydroxyethyl cellulose is also found in topical formulations to aid in more efficient drug diffusion across the membranes.

5 Pharmacology and Biochemistry

5.1 Pharmacology

Hydroxyethyl cellulose acts as a demulcent by relieving inflammation or irritation and dryness of eyes. It acts as one of the key ingredient and viscosity-enhancing agent to prolong corneal contact time and increase intraocular drug levels.

5.2 Mechanism of Action

Interacts with the solid surface through hydrogen bonding to thicken and prolong the formation time of a water-retaining film. Hydroxyethyl cellulose acts as a drug carrier or microsphere to entrap other drug molecules and form a viscous gel-like dispersion, enabling drug diffusion across biological membranes.

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