Protopine
- Product NameProtopine
- CAS130-86-9
- CBNumberCB9347526
- MFC20H19NO5
- MW353.37
- EINECS204-999-6
- MDL NumberMFCD00022322
- MOL File130-86-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 203-205C |
| Boiling point | 486.8°C (rough estimate) |
| Density | 1.399 (calc) |
| refractive index | 1.5800 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| Water Solubility | Insoluble in water |
| solubility | DMSO : 12.5 mg/mL (35.37 mM; Need ultrasonic) |
| form | powder to crystal |
| pka | 7.86±0.20(Predicted) |
| color | White to Light gray to Light yellow |
| Major Application | food and beverages |
| InChI | InChI=1S/C20H22NO5/c1-25-11-23-17-5-4-13-2-3-14-9-19-18(24-12-26(19)22)8-15(14)6-7-21-10-16(13)20(17)25/h2-5,8,16,21H,6-7,9-12H2,1H3/b13-2-,14-3- |
| InChIKey | JVVZZYVMOGCQIP-JAIUMMMNSA-N |
| SMILES | N1CCC2=CC3OCO(=O)C=3CC2=CC=C2C=CC3OCO(C)C=3C2C1 |c:14,t:16| |
| LogP | 3.760 (est) |
| EWG's Food Scores | 1 |
| FDA UNII | UIW569HT35 |
| NIST Chemistry Reference | Protopine(130-86-9) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P264-P270-P301+P312+P330-P501 | |||||||||
| Safety Statements | 24/25 | |||||||||
| RIDADR | 1544 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| RTECS | VS2800000 | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29391900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| Hazardous Substances Data | 130-86-9(Hazardous Substances Data) | |||||||||
| Toxicity | guinea pig,LD50,intraperitoneal,116mg/kg (116mg/kg),Therapie. Vol. 28, Pg. 767, 1973. | |||||||||
| NFPA 704: |
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