3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
Grundinformationen
- CAS
82473-24-3- Standard-SMILES
C[C@H](CCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
GUQQBLRVXOUDTN-XOHPMCGNSA-N- Summenformel
- C32H58N2O8S
- Durchschnittliche Molmasse
- 630,9 g/mol
- Monoisotopische Masse
- 630,39138799
Überblick
RN given refers to (3alpha,5beta,7alpha,12alpha)-isomer
Namen und Bezeichner
- Bevorzugter Name
- 3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
- IUPAC
- 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
- Englischer Name
- Chapso
- Summenformel
- C32H58N2O8S
- Molmasse
- 630.88
Namen und Synonyme
chapso82473-24-33-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonateV9N9RGA14M3-((3-cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonateRefChem:919931-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-3-SULFO-N-(3-(((3ALPHA,5BETA,7ALPHA,12ALPHA)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)PROPYL)-, INNER SALT617-338-5MFCD000810793-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate(2-hydroxy-3-sulfopropyl)-dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azanium
Weitere Namen anzeigen
Hydroxy analogCHAPSO extrapure
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 176 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 1.070
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 · 184-186 °C(lit.)
- Dichte
- 1.0453 · 1.0453 (rough estimate)
- Brechungsindex
- 1.69 · 1.6900 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 2 O: · H2O: 10 mg/mL at 20 °C, clear, colorless
- Aggregatzustand
- White solid
- Farbe
- White crystalline
- Geruch (Odor)
- Odorless
- Wasserlöslichkeit
- 10 g/l · 10 g/l at 20 °C
- Merck
- 13 · 13,2052
- BRN
- 5842642 · 5842642
- InChIKey
- GUQQBLRVXOUDTN-PPDWFABINA-N
- SMILES
- [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O
- CAS Datenbank
- 82473 · 82473-24-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-3-(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-ylaminopropyl-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Anwendungen
VerwendenChapso is a nondenaturing biological detergent with characteristics similar to CHAPS, although it is more soluble due to a more polar head group. Useful for the solubilization of integral membrane proteins.
Zugehörige Reaktionen
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