Home > Compound List > Compound details
116-38-1 molecular structure
click picture or here to close

N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride

ChemBase ID: 105434
Molecular Formular: C10H16ClNO
Molecular Mass: 201.69314
Monoisotopic Mass: 201.09204182
SMILES and InChIs

SMILES:
[Cl-].CC[N+](C)(C)c1cccc(O)c1
Canonical SMILES:
CC[N+](c1cccc(c1)O)(C)C.[Cl-]
InChI:
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKey:
BXKDSDJJOVIHMX-UHFFFAOYSA-N

Cite this record

CBID:105434 http://www.chembase.cn/molecule-105434.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethyl-3-hydroxy-N,N-dimethylanilinium chloride
IUPAC Traditional name
edrophonium chloride
tensilon chloride
Synonyms
N-Ethyl-3-hydroxy-N,N-dimethyl-benzenaminium Chloride
Antirex
Enlon
Reversol
Tensilon
Tensilon Chloride
Ethyl-[m-Hydroxy phenyl]-dimethyl ammonium chloride
EDROPHONIUM CHLORIDE
Ethyl(m-hydroxyphenyl)dimethylammonium chloride
Edrophonium chloride
N-Ethyl-3-hydroxy-N,N-dimethylbenzenaminium chloride
CAS Number
116-38-1
EC Number
204-138-4
MDL Number
MFCD00055064
PubChem SID
24278414
162092565
PubChem CID
8307

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.5937195  H Acceptors
H Donor LogD (pH = 5.5) -1.8696398 
LogD (pH = 7.4) -0.9596521  Log P -1.9138073 
Molar Refractivity 62.4088 cm3 Polarizability 19.740566 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
162°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
BQ5870000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... ACHE(43) expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02190200 external link
(Ethyl-[m-Hydroxy phenyl]-dimethyl ammonium chloride)
Sigma Aldrich - E3256 external link
Biochem/physiol Actions
Acetycholinesterase inhibitor
Toronto Research Chemicals - E336000 external link
A reversible Acetylcholinesterase inhibitor.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Lyon, R., et al.: J. Pharm. Sci., 95, 1549 (2006)
  • • Fliri, A., et al.: J. Med. Chem., 52, 8038 (2006)
  • • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2006)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle