Account 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate
- Catalog No. :
- ACJIYC264
- CAS No. :
- 75621-03-3
- Molecular Formula :
- C32H58N2O7S
- Molecular Weight :
- 614.89
IUPAC Name: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)propane-1-sulfonate
![3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate |
|---|---|
| IUPAC Name | 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)propane-1-sulfonate |
| MDL No. | MFCD00081083 |
| Molecular Formula | C32H58N2O7S |
| Molecular Weight | 614.89 |
| SMILES | C[C@H](CCC(NCCC[N+](C)(C)CCCS(=O)([O-])=O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C |
| InChI Key | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
| Synonym | 1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner salt | A865651 | QBP25342AG | 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulphonate | CS-0926 | 3-((3-Cho |
| CAS No. | 75621-03-3 |
| PubChem CID | 107670 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P264-P270-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACJIYC264 Molecular Building Block Synthetic Route
3-[(3-Cholamidopropyl)dimethylammonio]-1-propanesulfonate xhydrate
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)