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CHEBI:136185 - VX nerve agent
| Formula | C11H26NO2PS |
| Net Charge | 0 |
| Average Mass | 267.375 |
| Monoisotopic Mass | 267.14219 |
| SMILES | CCOP(C)(=O)SCCN(C(C)C)C(C)C |
| InChI | InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3 |
| InChIKey | JJIUCEJQJXNMHV-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. neurotoxin A poison that interferes with the functions of the nervous system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| VX nerve agent (CHEBI:136185) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| VX nerve agent (CHEBI:136185) has role neurotoxin (CHEBI:50910) |
| VX nerve agent (CHEBI:136185) is a organic thiophosphate (CHEBI:37512) |
| VX nerve agent (CHEBI:136185) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| S-{2-[di(propan-2-yl)amino]ethyl} O-ethyl methylphosphonothioate |
| Synonyms | Source |
|---|---|
| Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate | ChemIDplus |
| Ethyl-S-diisopropylaminoethyl methylthiophosphonate | ChemIDplus |
| O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate | ChemIDplus |
| O-ethyl-S-[2-(N,N-diisopropylamino)ethyl] ester | NIST Chemistry WebBook |
| S-(2-Diisopropylaminoethyl) O-ethyl methyl phosphonothiolate | ChemIDplus |
| VX | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 36386 | ChemSpider |
| VX_(nerve_agent) | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1949015 | Reaxys |
| CAS:50782-69-9 | NIST Chemistry WebBook |
| CAS:50782-69-9 | ChemIDplus |
| Citations |
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