Basic information
- 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- Molecular formula
- C32H58N2O8S
- Average molar mass
- 630.9 g/mol
- Monoisotopic mass
- 630.39138799
Names & identifiers
- Preferred 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
- English name
- Chapso
- Molecular formula
- C32H58N2O8S
- Molecular weight
- 630.88
Names & synonyms
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
Show more names
Hydroxy analogCHAPSO extrapureCHAPSO detergentCHAPSO SIGMAULTRACHAPSO,ELECTROPHORESISGRADECHAPSO 96% For BiochemistryCHAPSO Buffer extrapure, 99%CHAPSO ELECTROPHORESIS REAGENT
3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,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-sulfonateUNII-V9N9RGA14MC32H58N2O8SCHAPSO, BioXtraSCHEMBL594591orb2308659orb2900242CHAPSO, >=98%
Database identifiers
- CAS
82473-24-3- PubChem CID
- 122145
- DTXSID
DTXSID901002705- UNII
- V9N9RGA14M
- EC Number
- 617-338-5
- Nikkaji
- J725.177G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Melting point
- 184 · 184-186 °C(lit.)
- Density
- 1.0453 · 1.0453 (rough estimate)
- refractive index
- 1.69 · 1.6900 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 10 mg/mL at 20 °C, clear, colorless
- form
- White solid
- color
- White crystalline
- Odor
- Odorless
- Water Solubility
- 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 DataBase Reference
- 82473 · 82473-24-3(CAS DataBase Reference)
- FDA UNII
- 9 N9RGA14M · V9N9RGA14M
- UNSPSC Code
- 12161902 · 12161902
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
- HS Code
- 2924297099 · 2924297099
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
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%)；Eye Irrit. 2 (98%)；STOT SE 3 (98%)
Regulatory information
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.
Safety data
- F
- 3-10
- wgk
- 3
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
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.
Applications
UsesChapso 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.
General DescriptionCHAPSO is a non-denaturing zwitterionic bile salt derivative, derived from Chaps by the addition of a functional hydroxyl group.
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Related reactions
2 records
Compound notes
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