| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 25 | Yes |
Popular Name: Fluorescein Fluorescein
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117548-22-8 , 2321-07-5 , 31395-16-1 , 518-47-8 , 7/5/2321 12:00:00 AM , 72088-94-9 , [117548-22-8] , [2321-07-5] , [518-47-8]
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-benzoic acid
2321-07-5; D01261; Fluorescein (JAN/USP); Fluorescite (TN)
3',6'-Dihydroxy-3-oxo-spiro[isobenzofuran-1(3H)-9'-[9H]xanthene]-ar-carboxylic acid
3',6'-Dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
4-[{(2,5-dioxo-1-pyrrolidinyl)oxy}carbonyl](
5(6)carboxyfluorescein succinimidyl ester benzoic acid
Acid Yellow 73, Technical grade
Fluorescein disodium salt dihydrate
Fluorescein disodium salt hydrate
Fluorescein, 99%, pure, laser grade
Fluorescein, Disodium Salt, Fluorescein, disodium salt
Fluorescein, high purity standard
N-Hydroxysuccinimid-Fluorescein
Sodium 2-(6-oxido-3-oxo-3,10-dihydroanthracen-9-yl)benzoate
Sodium 3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate)
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-ar-carboxylic acid, 3',6'-dihydroxy-3-oxo-
| 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) | 3.69 | 5.23 | -12.47 | 2 | 5 | 0 | 76 | 332.311 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 6 | -49.46 | 1 | 5 | -1 | 79 | 331.303 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.55e-02 g/l | DrugBank-approved |
| Melting_Point | 239-241? dec. | Alfa-Aesar |
| Melting_Point | 239-241° dec. | Alfa-Aesar |
| Mp [°C] | 275 | Acros Organics |
| Mp [°C] | 314 - 316 | Acros Organics |
| Melting_Point | 320? | Alfa-Aesar |
| Melting_Point | 320° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Melting_Point | >250? | Alfa-Aesar |
| Melting_Point | >250° | Alfa-Aesar |
| UniProt Database Links | CDA_MYROD; PTPRE_MOUSE; RP1L1_HUMAN; S22A8_MOUSE; S22AK_MOUSE; SFGH_ARATH | ChEBI |
| Therapy | corneal trama indicator | SMDC Pharmakon |
| Patent Database Links | EP0805190; EP0940681; EP1433778; EP1433779; EP1604689; EP1642588; EP1649860; EP1650200; EP1712557; EP1722230; EP1810659; EP1820517; EP1854489; EP1995256; US2002015961; US2002110691; US2002198370; US2003044830; US2003215801; US2003219780; US2004171572; US2 | ChEBI |
| PUBCHEM_PATENT_ID | EP0889324A1; US5578500 | IBM Patent Data |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | 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 | Acros Organics |
| R phrase | R36: Irritating to eyes. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
