| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 517-66-8 |
| FDA UNII: | J2ZGT5M0N7 |
| Category: | natural substances and extractives |
| IUPAC Name: | (S)-dicentrine |
| InChI : | InChI=1/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1 |
| Std.InChI: | InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1 |
| InChIKey : | YJWBWQWUHVXPNC-AWEZNQCLBU |
| Std.InChIKey: | YJWBWQWUHVXPNC-AWEZNQCLSA-N |
| SMILES : | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3 |
| Molar Refractivity : | 93.61 ± 0.3 cm3 (est) |
| Parachor : | 702.6 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.615 ± 0.02 (est) |
| Surface Tension : | 47.2 ± 3.0 dyne/cm (est) |
| Density : | 1.266 ± 0.06 g/cm3 (est) |
| Polarizability : | 37.11 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 6.435 mg/L @ 25 °C (est) | |
| None found |
| Alfa Biotechnology |
| For experimental / research use only. |
| D-Dicentrine 98% |
| BOC Sciences |
| For experimental / research use only. |
| Dicentrine 98% Odor: characteristic Use: Dicentrine is an alkaloid showing antihypertensive effect. |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for (S)-dicentrine usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (S)-dicentrine flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :101300 |
| National Institute of Allergy and Infectious Diseases:Data |
| Chemidplus:0000517668 |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101300 |
| Pubchem (cas): | 517-66-8 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C17426 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB002141 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| 5H- | benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)- (9CI) |
| d- | dicentrine |
