Analyte Name

Calcein AM (Mixture of Structural Isomers)

Molecular Formula

C46H46N2O23

Molecular Weight

994.86

Accurate Mass

994.25

SMILES

O=C(O1)C(C=CC=C2)=C2C31C4=C(C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C(OC(C)=O)C=C4)OC5=C3C=CC(OC(C)=O)=C5CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O.O=C(O6)C(C=CC=C7)=C7C86C9=C(C=C(OC(C)=O)C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C9)OC%10=C8C=C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(OC(C)=O)=C%10

InChI

InChI=1S/2C46H46N2O23/c1-25(49)60-21-64-41(55)17-47(18-42(56)65-22-61-26(2)50)15-31-11-35-39(13-37(31)68-29(5)53)70-40-14-38(69-30(6)54)32(12-36(40)46(35)34-10-8-7-9-33(34)45(59)71-46)16-48(19-43(57)66-23-62-27(3)51)20-44(58)67-24-63-28(4)52;1-25(49)60-21-64-39(55)17-47(18-40(56)65-22-61-26(2)50)15-32-37(68-29(5)53)13-11-35-43(32)70-44-33(16-48(19-41(57)66-23-62-27(3)51)20-42(58)67-24-63-28(4)52)38(69-30(6)54)14-12-36(44)46(35)34-10-8-7-9-31(34)45(59)71-46/h2*7-14H,15-24H2,1-6H3

IUPAC

tetrakis(acetoxymethyl) 2,2',2'',2'''-(((3',6'-diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-2',7'-diyl)bis(methylene))bis(azanetriyl))tetraacetate--tetrakis(acetoxymethyl) 2,2',2'',2'''-(((3',6'-diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-4',5'-diyl)bis(methylene))bis(azanetriyl))tetraacetate (1/1)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat