Physical Representations

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

Vendor Notes

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

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