| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2008 | 20 | Yes |
Popular Name: Methylene Blue Methylene Blue
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122965-43-9 , 26283-09-0 , 37247-10-2 , 61-73-4 , 7220-79-3 , [61-73-4]
"Methylene Blue hydrate, 96% [high purity biological stain]"
3,7-Bis-dimethylamino-phenothiazin-5-ylium
61-73-4; Methylene blue; Prestwick_326
BASIC BLUE 9 ZINC CHLORIDE DOUBLE SALT
BASICBLUE9ZINCCHLORIDEDOUBLESALT
CPD0-1625; basic blue 9; methylene blue; methylene blue anhydrous
methanaminium, N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methyl-, chloride
Methyl Red - Methylene Blue Solution (Ethanol Soln.) [mixed Indicator]
Methylene Blue hydrate, 96+%, high purity biological stain
Methylene Blue trihydrate, 95%, pure
Methylene Blue [Ion association reagent for spectrophotometric analysis]
Methylene Blue, high purity, biological stain
Methylene Blue, pure, certified
N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium chloride
| 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) | 0.09 | 8.07 | -21.27 | 0 | 3 | 1 | 19 | 284.408 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 100 - 110 | Acros Organics |
| Mp [°C] | 190 | Acros Organics |
| Therapy | antimethemoglobinemic, cyanide antidote | SMDC Pharmakon |
| Melting_Point | ca 180? dec. | Alfa-Aesar |
| Melting_Point | ca 180° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0196411A2; EP0290181A2; EP0337724A2; EP0684127A1; EP0707291B1; US4493642; US4617769; US4635849; US4653609; US4687250; US4693394; US4693492; US4705489; US4714221; US5772946; WO1985000215A1; WO1989011257A1 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR-2-E | Glutathione Reductase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6400 | 0.36 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5 | 0.58 | Functional ≤ 10μM |
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 7 | 0.57 | Functional ≤ 10μM |
| Z80136-1-O | FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other | Other | 1100 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSHR_PLAF7 | O15770 | Glutathione Reductase, Plaf7 | 6400 | 0.36 | Binding ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 1100 | 0.42 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 17 | 0.54 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 6.5 | 0.57 | Functional ≤ 10μM |
