CAS 5949-16-6|(9S)-Cinchonan-9-ol sulfate (2:1)
Introduction：Basic information about CAS 5949-16-6|(9S)-Cinchonan-9-ol sulfate (2:1), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (9S)-Cinchonan-9-ol sulfate (2:1) | ||
|---|---|---|---|
| CAS Number | 5949-16-6 | Molecular Weight | 686.860 |
| Density | 1.61g/cm3 | Boiling Point | 169 °C(lit.) |
| Molecular Formula | C38H46N4O6S | Melting Point | 38-40 °C(lit.) |
| MSDS | USA | Flash Point | 148 °F |
Names
| Name | Cinchonine Sulfate Dihydrate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.61g/cm3 |
|---|---|
| Boiling Point | 169 °C(lit.) |
| Melting Point | 38-40 °C(lit.) |
| Molecular Formula | C38H46N4O6S |
| Molecular Weight | 686.860 |
| Flash Point | 148 °F |
| Exact Mass | 686.313782 |
| PSA | 155.70000 |
| LogP | 6.63300 |
| Index of Refraction | 1.717 |
| InChIKey | WBBHOISPYYYBTC-SJFRDBBCSA-N |
| SMILES | C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12.C=CC1CN2CCC1CC2C(O)c1ccnc2ccccc12.O=S(=O)(O)O |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 78,159,1943
Safety Information
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | 1544 |
| WGK Germany | 3 |
| RTECS | GD3800000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
Articles24
More Articles| Mutation in the Plasmodium falciparum CRT protein determines the stereospecific activity of antimalarial cinchona alkaloids. Antimicrob. Agents Chemother. 56(10) , 5356-64, (2012) The Cinchona alkaloids are quinoline aminoalcohols that occur as diastereomer pairs, typified by (-)-quinine and (+)-quinidine. The potency of (+)-isomers is greater than the (-)-isomers in vitro and ... | |
| A theoretical investigation on the Strecker reaction catalyzed by a Ti(IV)-complex catalyst generated from a cinchona alkaloid, achiral substituted 2,2'-biphenol, and tetraisopropyl titanate. Chemistry 19(5) , 1637-46, (2013) The mechanism and the origin of selectivity of the asymmetric Strecker reaction catalyzed by a Ti(IV)-complex catalyst generated from a cinchona alkaloid, achiral substituted 2,2'-biphenol, and tetrai... | |
| Organocatalytic asymmetric conjugate addition of 3-monosubstituted oxindoles to (E)-1,4-diaryl-2-buten-1,4-diones: a strategy for the indirect enantioselective furanylation and pyrrolylation of 3-alkyloxindoles. Chemistry 18(21) , 6679-87, (2012) An asymmetric conjugate addition of 3-monosubstituted oxindoles to a range of (E)-1,4-diaryl-2-buten-1,4-diones, catalyzed by commercially available cinchonine, is described. This organocatalytic asym... |
Synonyms
| Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt) |
| (9S)-Cinchonan-9-ol sulfate (2:1) |
| EINECS 227-708-4 |
| MFCD00035639 |
| cinchonine sulfate |
