Compound: calcein
SMILES: O=C1OC2(c3c(Oc4c2cc(CN(CC(=O)O)CC(=O)O)c(c4)O)cc(O)c(c3)CN(CC(=O)O)CC(=O)O)c5c1cccc5
InChIKey: DEGAKNSWVGKMLS-UHFFFAOYSA-N
Synonyms: calcein, Fluorexon, 1461-15-0, Oftasceine, Oftasceina, Oftasceinum, 2',7'-Bis((bis(carboxymethyl)amino)methyl)fluorescein, V0YM2B16TS, NSC-298193, Glycine, N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-, NSC298193, 2,7-Bis(N,N-bis(carboxymethyl)aminomethylene)fluorescein, CHEBI:51903, N,N'-(3',6'-Dihydroxyspiro(phthalid-3,9'-xanthen)-2',7'-diyldimethyl)bis(iminodiessigsaeure), Glycine, N,N'-((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-diyl)bis(methylene))bis(N-(carboxymethyl)-, RefChem:167975, 2-(((7'-((bis(carboxymethyl)amino)methyl)-3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthene)-2'-yl)methyl)(carboxymethyl)amino)acetic acid, 215-957-1, DTXCID6025856, DTXSID8045856, 2,2',2'',2'''-(((3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylene))bis(azanetriyl))tetraacetic acid, Oftasceine [INN], C30H26N2O13, MFCD00005049, 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid, Fluorescein complex, Bis[N,N-bis(carboxymethyl)aminomethyl]fluorescein, N,N'-[(3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine], Fluorexone, Oftasccine, 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid, Oftasceinum [INN-Latin], Oftasceina [INN-Spanish], UNII-V0YM2B16TS, Calcein indicator, 2,2',2'',2'''-[[(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylene)]bis(azanetriyl)]tetraacetic Acid, 2-{[(16-{[bis(carboxymethyl)amino]methyl}-12,15-dihydroxy-1-oxospiro[3-hydrois obenzofuran-3,9'-xanthene]-11-yl)methyl](carboxymethyl)amino}acetic acid, Fluorexon; Oftasceine; Fluorescein complexon; 2,7-Bis[N,N-bis(carboxymethyl)aminomethylene]fluorescein, EINECS 215-957-1, NSC 298193, Calcein, UltraPure Grade, OFTASCEINE [WHO-DD], SCHEMBL23435, orb1308502, CHEMBL1973733, GLXC-07952, HY-D0040, EBC-27395, s5975, SBB008848, AKOS015903938, CCG-214792, CS-7704, DB11184, FF52656, Fluorescein-bis(methyliminodiacetic acid), 2-{[(7'-{[bis(carboxymethyl)amino]methyl}-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-2'-yl)methyl](carboxymethyl)amino}acetic acid, AS-35263, DA-61999, NCI60_002494, SY030225, Calcein for Fluorometric Determination of Ca, NS00024772, NS00069857, ST50307393, 2,N-bis(carboxymethyl)aminomethylene]fluorescein, EN300-18528188, F079430, Q413006, SR-01000945252, SR-01000945252-1, Fluorescein,7'-bis[[bis(carboxymethyl)amino]methyl]-, Fluorescein, 2',7'-bis((bis(carboxymethyl)amino)methyl)-, Acetic acid,6'-dihydroxy-2',7'-fluorandiyl)bis(methylenenitrilo)]tetra-, 2,2',2'',2'''-[(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylenenitrilo)]tetraacetic acid, Glycine,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-diyl)bis(methylene)]bis[N-(carboxymethyl)-
Theoretical properties:
molecular_formula: C30H26N2O13
molecular_weight: 622.5 g/mol
exact_mass: 622.14348889 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 12
heavy_atom_count: 45
topological_polar_surface_area: 232 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Calcein is a xanthene dye. It has a role as a fluorochrome. It is functionally related to a fluoran.
chembl: OFTASCEINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Calcein, also known as fluorexon, fluorescein complex, is a fluorescent dye with excitation and emission wavelengths of 495 and 515 nm, respectively, and has the appearance of orange crystals. Calcein self-quenches at concentrations above 70 mM and is commonly used as an indicator of lipid vesicle leakage. It has also been traditionally used as a complexometric indicator for titration of calcium ions with EDTA, and for fluorometric determination of calcium.