| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 18 | No |
Popular Name: Alizarin Alizarin
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 72-48-0 , No CAS (08/03) , [72-48-0]
1,2-Dihydroxy-9,10-anthracenedione
1,2-dihydroxy-9,10-dihydroanthracene-9,10-dione
1,2-Dihydroxyanthracene-9,10-dione
9,10-anthracenedione, 1,2-dihydroxy-
Alizarin [72-48-0]; (1,2-Dihydroxyanthraquinone)
| 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) | 2.91 | 3.61 | -10.65 | 2 | 4 | 0 | 75 | 240.214 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 4.53 | -45.52 | 1 | 4 | -1 | 77 | 239.206 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Aglycone from madder root Rubia tinctorum. Also found in Rubia iberica, Rubia cordifolia and in tissue cultures of Galium mollugo, Morinda citrifolia, Cinchona ledgeriana and Cin | ZereneX Building Blocks |
| MP | 279 - 283 | Enamine Building Blocks |
| MP | 279...283 | Enamine Building Blocks |
| Melting_Point | 286-290? | Alfa-Aesar |
| Melting_Point | 286-290° | Alfa-Aesar |
| Mp [°C] | 287 - 289 | Acros Organics |
| MP | 287 °C | Indofine |
| BP [°C] | 430 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| therap | antimutagen | MicroSource Spectrum |
| mechanism | Bonds with calcifying tissues | IBScreen Bioactives |
| Boiling_Point | ca 430? subl. | Alfa-Aesar |
| Boiling_Point | ca 430° subl. | Alfa-Aesar |
| Patent Database Links | EP1726309; EP1808169; US2006003459; US2007184137; US2007191330; US2007218146; US2007237728; WO2007099432; WO2007126777; WO2007130777 | ChEBI |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation | Acros Organics |
| biological_use | In clinical practice is used to stain synovial fluid to assess for basic calcium phosphate crystals | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| Target | P450 (e.g. CYP17) | Selleck Chemicals |
| R phrase | R22: Harmful if swallowed.; R36: Irritating to eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
