Edrophonium Chloride

C10H16ClNO — CID 8307

IUPACethyl-(3-hydroxyphenyl)-dimethylazanium chloride
SMILESCC[N+](C)(C)C1=CC(=CC=C1)O.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKeyBXKDSDJJOVIHMX-UHFFFAOYSA-N
MW201.69 g/mol
LogP—
Rot. Bonds2

About Edrophonium Chloride

Edrophonium Chloride (PubChem CID 8307) has the molecular formula C10H16ClNO and a molecular weight of 201.69 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)-dimethylazanium chloride.

Molecular Properties

Compound NameEdrophonium Chloride
PubChem CID8307
Molecular FormulaC10H16ClNO
Molecular Weight201.69 g/mol
Exact Mass201.09
IUPAC Nameethyl-(3-hydroxyphenyl)-dimethylazanium chloride
SMILESCC[N+](C)(C)C1=CC(=CC=C1)O.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKeyBXKDSDJJOVIHMX-UHFFFAOYSA-N
XLogP—
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyacetanilide
CID 12124
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
4-(Dimethylamino)phenol
CID 22174
3-(Dimethylamino)phenol
CID 7421
3-Hydroxy-N-phenylaniline
CID 7546
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Hydroxyphenyltrimethylammonium iodide
CID 17250
2-(Dimethylamino)phenol
CID 459235
3-Ethylaminophenol
CID 578991
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846

Frequently Asked Questions

What is the IUPAC name of Edrophonium Chloride?
The IUPAC name of Edrophonium Chloride (CID 8307) is ethyl-(3-hydroxyphenyl)-dimethylazanium chloride.
What is the SMILES notation for Edrophonium Chloride?
The canonical SMILES for Edrophonium Chloride is CC[N+](C)(C)C1=CC(=CC=C1)O.[Cl-].
What is the InChIKey of Edrophonium Chloride?
The InChIKey is BXKDSDJJOVIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H.
What are the key properties of Edrophonium Chloride?
Edrophonium Chloride has a molecular weight of 201.69 g/mol, XLogP of not available, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Edrophonium Chloride is sourced from PubChem (CID 8307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).