2-Hydroxypropyl-Beta-Cyclodextrin

HCID 14049689

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Grundinformationen

CAS: 107745-73-3
Standard-SMILES: CC(O)COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8COCC(C)O)O[C@@H]7COCC(C)O)O[C@@H]6COCC(C)O)O[C@@H]5COCC(C)O)O[C@@H]4COCC(C)O)O[C@@H]3COCC(C)O
InChIKey: ODLHGICHYURWBS-LKONHMLTSA-N
Summenformel: C63H112O42
Durchschnittliche Molmasse: 1.541,5 g/mol
Monoisotopische Masse: 1.540,66281762

Überblick

Derivative of beta-cyclodextrin that is used as an excipient for steroid drugs and as a lipid chelator.

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxypropyl-Beta-Cyclodextrin
IUPAC: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(2-hydroxypropoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Englischer Name: 6A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-β-cyclodextrin
Summenformel: C63H112O42
Molmasse: 1541.54

Namen und Synonyme

2 Hydroxypropyl beta cyclodextrinHP-beta-CDHPbetaCDBetadex, Hydroxypropylbeta Hydroxypropylcyclodextrinbeta-Hydroxypropylcyclodextrin2 hydroxypropyl-beta-cyclodextrinRefChem:909949DTXSID208942812-Hydroxypropyl-Beta-CyclodextrinHydroxypropyl-Beta-Cyclodextrin107745-73-3

Weitere Namen anzeigen

VTS-270HP-beta-CyD2-Hydroxypropyl-beta-Cyclodextrin D426A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-β-cyclodextrinβ-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-O-(2-hydroxypropyl)-

Trappsol Cyclo6A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-beta-cyclodextrinTrappsol HPBHydroxypropylbetadexTHPBbeta-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G-heptakis-O-(2-hydroxypropyl)-Hydroxypropyl-beta-cyclodextrihydroxypropyl-beta cyclodextrin

Datenbank-Bezeichner

CAS: 107745-73-3、128446-35-5
PubChem CID: 14049689
DTXSID: DTXSID401017375
ChEMBL: CHEMBL577294

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -13
Polarare Oberfläche (TPSA): 619 Å²
H-Brücken-Donoren: 21
H-Brücken-Akzeptoren: 42
Frei drehbare Bindungen: 28
Schwere Atome: 105
Formalladung: 0
Komplexität: 2.010

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds

Physical DescriptionWhite or beige powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt: 1521.922 · 1521.922±60.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.411 · 1.411±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 11.817 · 11.817±0.70(predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information2-Hydroxypropyl-beta-cyclodextrin: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) > 5,000 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationUsually inert substances added to a prescription in order to provide suitable consistency to the dosage form. These include binders, matrix, base or diluent in pills, tablets, creams, salves, etc.