| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 18 | No |
Popular Name: Danthron Danthron
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10/2/117 , 117-10-2 , 2/10/117 , [117-10-2]
"1,8-Dihydroxyanthraquinone, 96%"
1,8-Dihydroxy-9,10-anthracenedione
1,8-Dihydroxy-9,10-anthraquinone
1,8-Dihydroxyanthra-9,10-quinone
1,8-dihydroxyanthracene-9,10-dione
1,8-Dihydroxyanthrachinon [Czech]
1,8-Dihydroxyanthraquinone [117-10-2]; (Chrysazin, Danthron)
1,8-Dihydroxyanthraquinone, 90-95%
1,8-Dihydroxyanthraquinone, 95%
1,8-Dihydroxyanthraquinone; 117-10-2; C10312; Chrysazin; Danthron
1,8-DIHYDROXYANTHRAQUINONE; [117-10-2]
117-10-2; D07107; Danthron; Dantron (INN); Pilules Vinchy N.F. (TN)
9,10-anthracenedione, 1,8-dihydroxy-
| 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) | 3.13 | 3.69 | -11.62 | 2 | 4 | 0 | 75 | 240.214 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Occurs in roots of Rheum palmatum, leaves and stems of Xyris semifuscata, tissue culture of Cinchona ledgeriana and leaves of Pyrrhalta luteola | ZereneX Building Blocks |
| mechanism | Direct action on intestinal mucosa | ZereneX Building Blocks |
| Mp [°C] | 190 - 195 | Acros Organics |
| MP | 191-193 °C(lit.) | Indofine |
| Melting_Point | 191-193? subl. | Alfa-Aesar |
| Melting_Point | 191-193° subl. | Alfa-Aesar |
| MP | 193 | TCI |
| ALOGPS_SOLUBILITY | 3.05e-01 g/l | DrugBank-withdrawn |
| mechanism | alters electrolyte-secretion | IBScreen Bioactives |
| mechanism | alters water-secretion | IBScreen Bioactives |
| Therapy | cathartic | SMDC Pharmakon |
| mechanism | Direct action on intestinal mucosa | IBScreen Bioactives IBScreen Bioactives |
| Patent Database Links | EP1582549; US2005182103; US2007185145; US2008262073; WO2006012162; WO2006035021 | ChEBI |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| biological_use | Laxative | IBScreen Bioactives |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| mechanism | stimulates myenteric-plexus | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
