Account (1R,1'R,2R,2'R)-2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate
- Catalog No. :
- ACNGAY285
- CAS No. :
- 96946-42-8
- Molecular Formula :
- C65H82N2O18S2
- Molecular Weight :
- 1243.50
IUPAC Name:(1R,1'R,2R,2'R)-2,2'-((pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate
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Product Information
| Product Name | (1R,1'R,2R,2'R)-2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate |
|---|---|
| IUPAC Name | (1R,1'R,2R,2'R)-2,2'-((pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate |
| MDL No. | MFCD00871018 |
| Molecular Formula | C65H82N2O18S2 |
| Molecular Weight | 1243.50 |
| SMILES | O=C(OCCCCCOC(CC[N@+]1(C)[C@H](CC2=CC=C(OC)C(OC)=C2)C3=C(C=C(OC)C(OC)=C3)CC1)=O)CC[N@+]4(C)[C@H](CC5=CC=C(OC)C(OC)=C5)C6=C(C=C(OC)C(OC)=C6)CC4.O=S(C7=CC=CC=C7)([O-])=O.O=S(C8=CC=CC=C8)([O-])=O |
| InChI Key | XXZSQOVSEBAPGS-DONVQRBFSA-L |
| Synonym | 51W89 | 51-W89 | 51-W-89 | ISOQUINOLINIUM, 2,2'-(1,5-PENTANEDIYLBIS(OXY(3-OXO-3,1-PROPANEDIYL)))BIS(1-((3,4-DIMETHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, DIBENZENESULFONATE, (1R-(1alpha,2alpha(1'R*,2'R*)))- | (1R,2R,1'R,2'R)-2,2'-{pe |
| CAS No. | 96946-42-8 |
| PubChem CID | 62886 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACNGAY285 Molecular Building Block Synthetic Route
2,2'-((Pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate
(1R,2R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-(3-methoxy-3-oxopropyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
(1R,2R)-2-(3-(tert-butoxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate