Caraway
Basic information
- CAS
7585-39-9- Standard SMILES
OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O- InChIKey
WHGYBXFWUBPSRW-UHFFFAOYSA-N- Molecular formula
- C42H70O35
- Average molar mass
- 1,135 g/mol
- Monoisotopic mass
- 1,134.3697639
Overview
Caraway has been reported in Taxus cuspidata with data available.
Names & identifiers
- Preferred name
- Caraway
- IUPAC
- 5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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
- English name
- β-Cyclodextrin
- Molecular formula
- C42H70O35
- Molecular weight
- 1134.99
Names & synonyms
Caraway5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-tetradecol5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-tetradecolRefChem:58755C42H70O35CYCLO-HEPTA-AMYLOSECycloheptamaltose.beta.-Dextrinbeta -cycloamylosebeta -cyclodextrin.beta.-Cycloamylose| cent-Cyclodextrin
Show more names
β-CyclodextrinBETA-CYCLODEXTRINbetadexB-CyclodextrinCyclodextrinsBCDBETA BYCLODEXTRINCYCLOMALTOHEPTAOSEBETA-CYCLODEXTRINE
b-Schardinger dextranbeta -cycloheptaamyloseDextrin, .beta.-cycloBetadex, INN, USAN.beta.-Cycloheptaamylosebeta Cyclodextrin, USANbeta-Cyclodextrin, ReagentSchardinger .beta.-dextrin
Properties
Computed structural properties
- XLogP
- -15
- Topological polar surface area
- 554 Ų
- Hydrogen bond donors
- 21
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 7
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,480
Experimental & physicochemical properties
Human DrugsBreast Feeding; Lactation; Milk, Human; Complementary Therapies; Food; Galactogogues; Phytotherapy; Plants, Medicinal
Melting Point260 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 290 · 290-300 °C (dec.) (lit.)
- Boiling point
- 844.96 °C · 844.96°C (rough estimate)
- alpha
- 25 · [α]D25 +159～+165° (c=1, H2O) (After Drying)
- Density
- 1.2296 · 1.2296 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- FEMA
- 4028 · 4028 | BETA-CYCLODEXTRIN
- storage temp.
- room temp
- solubility
- 1 M · 1 M NaOH: 50 mg/mL
- form
- powder
- pka
- 11.73 · 11.73±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GU2293000
- hs_code
- 29400000
- risk_code
- 36/37/38-20
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H332
- REACH Registrations
- Active
- Precautionary statements
- P261-P304+P340
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
DescriptionCyclodextrins refer to a family of compounds consisting of sugar molecules bound together in ring (cyclic oligosaccharides). It is produced from starch through enzymatic conversion. Beta-cyclodextrin is the 7-membered sugar ring molecular form of cyclodextrin. Cyclodextrin has various applications. In the pharmaceutical industry, it can be used as complexing agents for increasing the solubility of poorly soluble drug as well as increasing their bioavailability and stability. It can also alleviate the gastrointestinal drug irritation, and prevent drug-drug and drug-excipient interactions. It can also be used in food, pharmaceutical, drug delivery, and chemical industries, as well as agriculture and environmental engineering.
OccurrenceA derivative of naturally occurring starch.
UsesUse to solubilize non-polar compounds such as fatty acids, lipids and cholesterol. Reported useful for the selective precipitation of enantiomeric, positional or structural isomersβ-Cyclodextrin is used with dansyl chloride to form water-soluble complexes for fluorescent labeling of proteins. It is an active ingredient of household odor eliminator. It is also used in personal care products like toothpastes, skin creams and dusting powders. It finds applications in the cosmetic industry for products like detergents and perfumes for the controlled release of fragrances. Further, it is used to produce HPLC columns allowing chiral enantiomers separation. In addition to this, it is used to decrease the level of cholesterol in milk fat.
Usesβ-Cyclodextrin is a cyclic oligosaccharide produced from starch via enzymatic conversion. β-Cyclodextrin is commonly used to produce HPLC columns allowing chiral enantiomers separation.
General DescriptionBeta-Cyclodextrin is the most abundant and cheap cyclic oligosaccharide that forms inclusion complexes with several drug molecules. Its main application is in tablet and capsule formulations.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Related reactions
1 records
Compound notes
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