TBA
TETRABUTYLAMMONIUM ION
| Created: | 2001-05-24 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 1 |
| Atom Count | 53 |
| Chiral Atom Count | 0 |
| Bond Count | 52 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | TETRABUTYLAMMONIUM ION |
| Systematic Name (OpenEye OEToolkits) | tetrabutylazanium |
| Formula | C16 H36 N |
| Molecular Weight | 242.464 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | CCCC[N+](CCCC)(CCCC)CCCC |
| SMILES | CACTVS | 3.341 | CCCC[N+](CCCC)(CCCC)CCCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC[N+](CCCC)(CCCC)CCCC |
| Canonical SMILES | CACTVS | 3.341 | CCCC[N+](CCCC)(CCCC)CCCC |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCC[N+](CCCC)(CCCC)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | DZLFLBLQUQXARW-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB01851 |
|---|---|
| Name | Tetrabutylammonium Ion |
| Groups | experimental |
| Synonyms | Tetrabutylammonium Ion |
| CAS number | 2052-49-5 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Ig kappa chain C region | TVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGN... | unknown | |
| pH-gated potassium channel KcsA | MPPMLSGLLARLVKLLLGRHGSALHWRAAGAATVLLVIVLLAGSYLAVLA... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 16028 |
| ChEMBL | CHEMBL1236196 |
| ChEBI | CHEBI:45825 |
| COD | 2103793, 2212594, 4506523, 2240557, 2236658, 4027343, 2232039, 1507937, 1520626, 1545792, 4503241, 4125258, 4506525, 4506524, 1520624, 2201931, 1520620, 1550252, 1520628, 4514519, 2205021, 2005645, 4106565, 2200425, 2230634, 2204903, 1558844, 4108136, 1520621, 7153137, 2204311, 1520619, 7202845, 2019728, 1508550, 7225453, 7225452, 1519324, 2200389, 7036964, 2011077, 7225451, 2200390, 1519321 |
