GMN
2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]
| Created: | 2002-12-11 |
| Last modified: | 2021-03-01 |
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Chemical Details | |
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| Formal Charge | 3 |
| Atom Count | 96 |
| Chiral Atom Count | 0 |
| Bond Count | 96 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM] |
| Synonyms | GALLAMINE |
| Systematic Name (OpenEye OEToolkits) | 2-[2,6-bis(2-triethylazaniumylethoxy)phenoxy]ethyl-triethyl-azanium |
| Formula | C30 H60 N3 O3 |
| Molecular Weight | 510.816 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC |
| SMILES | CACTVS | 3.341 | CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC |
| Canonical SMILES | CACTVS | 3.341 | CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3 |
| InChIKey | InChI | 1.03 | OZLPUNFFCJDMJD-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL360055 |
| PubChem | 3450 |
| ChEMBL | CHEMBL360055 |
| ChEBI | CHEBI:94609 |
