CAS Number207737-97-1
Synonymstaurodeoxycholic acid sodium sigmaultra; Sodium 2-{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (1:1:1); MFCD00149238
Molecular FormulaC26H44NO6SNa · xH2O
Molecular Weight521.69 (anhydrous basis)
Purity96%%
Melting Point168ºC (dec.)(lit.)
AppearanceWhite to off-white powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 207737-97-1 |
| Catalog No. | 2A-9093306 |
| Chinese Name | 牛磺酸脱氧胆酸钠 水合物 |
| Synonyms | taurodeoxycholic acid sodium sigmaultra; Sodium 2-{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (1:1:1); MFCD00149238 |
| Molecular Formula | C26H44NO6SNa · xH2O |
| Molecular Weight | 521.69 (anhydrous basis) |
| Purity | 96% |
| Melting Point | 168ºC (dec.)(lit.) |
| Appearance | White to off-white powder |
| Storage Condition | Store in a sealed container filled with inert gas |
| PubChem ID | 24899897 |
| SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.O.[Na+] |
| InChI | InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1 |
| InChI Key | OLPIZAYYAVQETM-GGPRKOIFSA-M |
| Hazard Symbols | transportation |
| Bioactivity | Chemical & Physical Properties Melting Point 168ºC (dec.)(lit.) Molecular Formula C26H44NNaO6S Molecular Weight 521.69 Exact Mass 539.289246 PSA 144.37000 LogP 4.46210 InChIKey OLPIZAYYAVQETM-GGPRKOIFSA-M SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.O.[Na+] |
| Transport Info | Product name: Purity: 95.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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