Product Code

TRC-C786495

CAS Number

1329745-98-3

Product Format

Neat

Molecular Formula

C25 H33 F N2 O2

Molecular Weight

412.54

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

4-(Dimethylamino)-1-[(1RS)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-yl]butan-1-one

CAS Number

1329745-98-3

Molecular Formula

C25 H33 F N2 O2

Molecular Weight

412.54

Accurate Mass

412.253

SMILES

CN(C)CCCC(=O)c1ccc2c(COC2(CCCN(C)C)c3ccc(F)cc3)c1

InChI

InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3

IUPAC

4-(dimethylamino)-1-[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-yl]butan-1-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Citalopram Dimethylaminobutanone

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