10A
DIDECYL-DIMETHYL-AMMONIUM
Created: | 2002-01-04 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 71 |
Chiral Atom Count | 0 |
Bond Count | 70 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | DIDECYL-DIMETHYL-AMMONIUM |
Systematic Name (OpenEye OEToolkits) | didecyl-dimethyl-azanium |
Formula | C22 H48 N |
Molecular Weight | 326.623 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCC[N+](C)(C)CCCCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC[N+](C)(C)CCCCCCCCCC |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCC[N+](C)(C)CCCCCCCCCC |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC[N+](C)(C)CCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C22H48N/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3/q+1 |
InChIKey | InChI | 1.03 | JGFDZZLUDWMUQH-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank ID | DB04221 |
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Name | Didecyldimethylammonium |
Groups |
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Synonyms |
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Brand Names |
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Categories |
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ATC-Code | D08AJ06 |
CAS number | 20256-56-8 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Phospholipid membrane | - | unknown | |
Cyclopropane mycolic acid synthase 2 | MTSQGDTTSGTQLKPPVEAVRSHYDKSNEFFKLWLDPSMTYSCAYFERPD... | 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 |
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PubChem | 16958 |
ChEMBL | CHEMBL1182247 |