Ethyl 3-aminobenzoate methanesulfonate - CAS 886-86-2
Catalog: |
BB039152 |
Product Name: |
Ethyl 3-aminobenzoate methanesulfonate |
CAS: |
886-86-2 |
Synonyms: |
ethyl 3-aminobenzoate;methanesulfonic acid |
Application: |
Anesthetics |
IUPAC Name: | ethyl 3-aminobenzoate;methanesulfonic acid |
Description: | Ethyl 3-Aminobenzoate can block the generation of action potentials via voltage-dependent Na+-channels. It is mainly used as an anesthetic for fish and also used for the euthanasia of all fish species especially zebrafish, which is commonly used in research. |
Molecular Weight: | 261.29 |
Molecular Formula: | C9H11NO2·CH4O3S |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O |
InChI: | InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4) |
InChI Key: | FQZJYWMRQDKBQN-UHFFFAOYSA-N |
Boiling Point: | 305-310 °C |
Melting Point: | 144-146 °C |
Purity: | 95 % |
Solubility: | DMSO/Water/Ethanol : 52 mg/mL |
Appearance: | White powder. |
Storage: | 2-8 °C |
MDL: | MFCD00013176 |
LogP: | 2.61150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015361038-A1 | Lrrk2 gtp binding inhibitors for treatment of parkinson's disease and neuroinflammatory disorders | 20140616 |
PMID | Publication Date | Title | Journal |
33370555 | 20210201 | Malformations and mortality in zebrafish early stages associated with elevated caspase activity after 24\xa0h exposure to MS-222 | Toxicology and applied pharmacology |
30053429 | 20181001 | MS-222 short exposure induces developmental and behavioural alterations in zebrafish embryos | Reproductive toxicology (Elmsford, N.Y.) |
27029555 | 20160330 | Zebrafish biosensor for toxicant induced muscle hyperactivity | Scientific reports |
23805553 | 20130601 | Repeated exposure of goldfish (Carassius auratus) to tricaine methanesulfonate (MS-222) | Journal of zoo and wildlife medicine : official publication of the American Association of Zoo Veterinarians |
22765650 | 20121101 | The effect of three anaesthetic protocols on the stress response in cane toads (Rhinella marina) | Veterinary anaesthesia and analgesia |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.06709375 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.06709375 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 115 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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