Account 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate xhydrate
- Catalog No. :
- ACGEEX075
- CAS No. :
- 331717-45-4
- Molecular Formula :
- C32H60N2O8S
- Molecular Weight :
- 632.91
IUPAC Name:CHAPS hydrate
![3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate xhydrate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate xhydrate |
|---|---|
| IUPAC Name | CHAPS hydrate |
| MDL No. | MFCD21332912 |
| Molecular Formula | C32H60N2O8S |
| Molecular Weight | 632.91 |
| SMILES | O[C@@H]1C[C@@]2(C[C@H](O)CC[C@]2(C)[C@]3(C[C@H](O)[C@]4(C)[C@](CC[C@]4([C@@]31[H])[H])([C@@H](CCC(NCCC[N+](C)(CCCS([O-])(=O)=O)C)=O)C)[H])[H])[H].O |
| InChI Key | SJCUTFKCLFLIFE-JWTJKVBLSA-N |
| Synonym | SCHEMBL1096579 | CHAPS (hydrate) | 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]propane-1 |
| CAS No. | 331717-45-4 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301+H311+H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACGEEX075 Molecular Building Block Synthetic Route
3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate
3-(dimethyl(3-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)ammonio)-2-hydroxypropane-1-sulfonate
Sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonate (1:1)