Hetastarch

Synopsis, Chemistry

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1 NDC API

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Also known as: Hetastarch, 9004-62-0, 5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol, 2-hydroxyethyl cellulose, Hydroxyethyl-cellulose, Schembl23306563

Molecular Formula

C₂₉H₅₂O₂₁

Molecular Weight

736.7 g/mol

InChI Key

CWSZBVAUYPTXTG-UHFFFAOYSA-N

Hetastarch is a synthetic, nonionic hydroxyethyl derivative of starch used as a plasma expander when prepared in an isotonic solution. Upon intravenous administration, hydroxyethyl starch colloid increases blood volume and thus improves circulation. This agent is almost exclusively excreted by the kidneys and is potentially nephrotoxic.

1 2D Structure

Hetastarch

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

2.1.2 InChI

InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3

2.1.3 InChI Key

CWSZBVAUYPTXTG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)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. Hetastarch

2. 9004-62-0

3. 5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

4. 2-hydroxyethyl Cellulose

5. Hydroxyethyl-cellulose

6. Schembl23306563

7. Dtxsid60873934

8. Ft-0627136

9. H11622

10. 2-hydroxyethyl Cellulose; Cellulose Hydroxyethyl Ether

11. 2-o-(2-hydroxyethyl)-4-o-methylhexopyranosyl-(1->4)-[4-o-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol

2.3 Create Date

2008-07-11

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₅₂O₂₁
Molecular Weight	736.7 g/mol
XLogP3	-7.7
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	15
Exact Mass	736.30010866 g/mol
Monoisotopic Mass	736.30010866 g/mol
Topological Polar Surface Area	315 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	999
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	20
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1