SpectraBase Compound ID | Fx3InLZnhly |
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InChI | InChI=1S/C20H25NO3.HI/c1-21(2)12-11-15-7-10-18(24-4)20(22)19(15)17(21)13-14-5-8-16(23-3)9-6-14;/h5-10,17H,11-13H2,1-4H3;1H/t17-;/m1./s1 |
InChIKey | ZDQYKSVXZICLTB-UNTBIKODSA-N |
Mol Weight | 455.34 g/mol |
Molecular Formula | C20H26INO3 |
Exact Mass | 455.095739 g/mol |
SpectraBase Spectrum ID | 94fLZsBiWxs |
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Name | Petaline - iodide |
CAS Registry Number | 6392-36-5 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C20H26INO3 |
InChI | InChI=1S/C20H25NO3.HI/c1-21(2)12-11-15-7-10-18(24-4)20(22)19(15)17(21)13-14-5-8-16(23-3)9-6-14;/h5-10,17H,11-13H2,1-4H3;1H/t17-;/m1./s1 |
InChIKey | ZDQYKSVXZICLTB-UNTBIKODSA-N |
Molecular Weight | 455.336 g/mol |
SMILES | [I-].Oc1c2[C@]([N+](CCc2ccc1OC)(C)C)(Cc1ccc(OC)cc1)[H] |
SPLASH | splash10-002f-2902000000-e6a49d987299b967b1f1 |
Source of Spectrum | X2-46-348-14 |
Synonyms | Petaline, iodide (1R)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide (R)-(-)-1-(4-methoxybenzyl)-1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-2,2-dimethylisoquinolinium iodide (R)-(-)-1-(4-methoxybenzyl)-1,2,3,4-tetrahydro-8-hydroxy-7-methoxy- -2,2 -dimethylisoquinolinium iodide (R)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide |
Wiley ID | 1601147 |