73606-19-6 Purity
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Specification
The molecular formula of 3-Desethoxy-drotaverine is C22H27NO4.
The molecular weight of 3-Desethoxy-drotaverine is 369.5 g/mol.
3-Desethoxy-drotaverine was created on February 8, 2007.
3-Desethoxy-drotaverine was last modified on October 21, 2023.
The IUPAC name of 3-Desethoxy-drotaverine is 5-[(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-ethoxyphenol.
The InChI of 3-Desethoxy-drotaverine is InChI=1S/C22H27NO4/c1-4-25-20-8-7-15(12-19(20)24)11-18-17-14-22(27-6-3)21(26-5-2)13-16(17)9-10-23-18/h7-8,12-14,24H,4-6,9-11H2,1-3H3.
The InChIKey of 3-Desethoxy-drotaverine is JZCPONDQAUFBIN-UHFFFAOYSA-N.
The canonical SMILES of 3-Desethoxy-drotaverine is CCOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC)OCC).
3-Desethoxy-drotaverine has one hydrogen bond donor count.
3-Desethoxy-drotaverine has eight rotatable bond counts.