| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 29 | Yes |
Popular Name: Brucine Brucine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 11/5/5892 12:00:00 AM , 145428-94-0 , 261961-87-9 , 357-57-3 , 4845-99-2 , 5786-96-9 , 5892-11-5 , 60583-39-3 , 63428-84-2 , 652154-10-4 , [145428-94-0] , [357-57-3] , [4845-99-2]
10,11-Dimethoxystrychnine sulfate salt
Brucine sulfate heptahydrate, 98%, ACS reagent
Brucine sulfate heptahydrate, ACS
Brucine; CPD000112281; SAM001246865
Strychnidin-10-one, 2,3-dimethoxy-, compd. with (1R,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.46 | 7.47 | -58.24 | 1 | 6 | 1 | 52 | 395.479 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 174 - 179 | Acros Organics |
| Melting_Point | 176-178? | Alfa-Aesar |
| Melting_Point | 176-178° | Alfa-Aesar |
| MP | 179 | TCI |
| Mp [°C] | 180 | Acros Organics |
| Melting_Point | 180? dec. | Alfa-Aesar |
| Melting_Point | 180° dec. | Alfa-Aesar |
| H phrase | H300: Fatal if swallowed | Acros Organics |
| H phrase | H300: Fatal if swallowed; H412: Harmful to aquatic life with long lasting effects; H330: Fatal if inhaled | Acros Organics |
| H phrase | H330: Fatal if inhaled | Acros Organics |
| H phrase | H330: Fatal if inhaled; H412: Harmful to aquatic life with long lasting effects; H300: Fatal if swallowed | Acros Organics |
| H phrase | H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| H phrase | H412: Harmful to aquatic life with long lasting effects; H300: Fatal if swallowed; H330: Fatal if inhaled | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : 399027 | NIH Clinical Collection via PubChem |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P273 | Acros Organics |
| R phrase | R26/28: Very toxic by inhalation and if swallowed. | Acros Organics |
| R phrase | R26/28: Very toxic by inhalation and if swallowed.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs. | Acros Organics |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety data | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: 399027 | NIH Clinical Collection via PubChem |
| Hazard | T+: Very toxic | Acros Organics |
| Target | Tumor necrosis factor(P01375)&Nitric oxide synthase, inducible(P35228) | Herbal Ingredients Targets |
