| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 31 | No |
Popular Name: Propidium iodide Propidium iodide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25535-16-4 , [25535-16-4]
25535-16-4; Prestwick_1017; Propidium iodide
3,8-Diamino-5-(3-(diethyl(methyl)ammonio)propyl)-6-phenylphenanthridin-5-ium iodide
3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridinium diiodide; propidium diiodide
3,8-DIAMINO-5-(3-DIETHYLAMINOPROPYL)-6-PHENYL PHENANTHRIDINIUM IODIDE METHIODIDE; [25535-16-4]
3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide
3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide, 94.0%+
3,8-Diamino-5-[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium diiodide
| 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) | -3.00 | 13.2 | -76.08 | 4 | 4 | 2 | 56 | 414.597 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 220-225 °C | Indofine |
| ALOGPS_SOLUBILITY | 7.13e-07 g/l | DrugBank-experimental |
| Patent Database Links | EP1582215; EP1818063; EP1985311; US2002176895; US2007191267; US2007202086 | ChEBI |
| Notes | Fluorescent staining compound | Apollo Scientific Bioactives |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H341: Suspected of causing genetic defects | Acros Organics |
| 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; P310: Immediately call a | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Patent Database Links | US2006008856 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-2-E | Acetylcholinesterase (cluster #2 Of 12), Eukaryotic | Eukaryotes | 6289 | 0.23 | Binding ≤ 10μM |
| Z104302-7-O | Glutamate NMDA Receptor (cluster #7 Of 7), Other | Other | 6800 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 6289 | 0.23 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 7140 | 0.23 | Binding ≤ 10μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 1100 | 0.27 | Binding ≤ 10μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 3730 | 0.25 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 6800 | 0.23 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 6800 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
No pre-computed analogs available. Try a structural similarity search.