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Didemethyl Citalopram-d6 Hydrobromide , CAS No.1286427-93-7
Names and Identifiers
IUPAC Name | 1-(3-amino-1,1,2,2,3,3-hexadeuteriopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide |
INCHI | InChI=1S/C18H17FN2O.BrH/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18;/h2-7,10H,1,8-9,12,20H2;1H/i1D2,8D2,9D2; |
InChi Key | HPONIRDZJWMVDD-FJBJLJJHSA-N |
Canonical SMILES | C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F.Br |
Isomeric SMILES | [2H]C([2H])(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C([2H])([2H])C([2H])([2H])N.Br |
PubChem CID | 45358946 |
Molecular Weight | 383.29 |
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