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N-Demethyl Ivabradine Hydrochloride

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For Research Use Only | Not For Clinical Use
CATAPS1246638083
CAS1246638-08-3
Structure
IUPAC Name3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
Molecular Weight491.02
Molecular FormulaC26H34N2O5.ClH
Canonical SMILESCl.COc1cc2CCN(CCCNC[C@H]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC
InChIInChI=1S/C26H34N2O5.ClH/c1-30-22-11-17-6-9-28(26(29)14-18(17)12-23(22)31-2)8-5-7-27-16-20-10-19-13-24(32-3)25(33-4)15-21(19)20;/h11-13,15,20,27H,5-10,14,16H2,1-4H3;1H/t20-;/m1./s1
Accurate Mass490.2234
FormatNeat
SubcategoryPharmaceutical, Chiral molecules
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