(E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate

Basic Information

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CAS Number

25717-80-0

Molecular Formula

C9H14N4O4

Molecular Weight

242.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

139.0 to 143.0 deg-C

Boiling Point

385.05°C (rough estimate)

Flash Point

No data available

Refractive Index

1.6300 (estimate)

Vapor Pressure

No data available

SMILES

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CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]

InChI

InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3

InChIKey

XLFWDASMENKTKL-UHFFFAOYSA-N

LogP

-0.43350

pKa

pK (100°) 3.0 ± 0.1

Complexity

270

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in male, female mice, male, female rats (mg/kg): 780, 750, 1380, 1350 s.c.; 860, 800, 830, 760 i.v.; 700, 760, 1250, 1250 i.p.; 830, 840, 1050, 1200 orally (Nakaguchi)

Synonyms & References

English

MOLSIDOMINE [INN]
AC-7473
NCGC00015661-08
A817988
Lopac-M-2901
HY-B1069
Prestwick_863
CHEMBL1329455
1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
CAS-25717-80-0
N-Carboxy-3-morpholinosydnonimine ethyl ester
5-[(ethoxycarbonyl)azanidyl]-3-(morpholin-4-yl)-1,2,3lambda5-oxadiazol-3-ylium
AB00052152_14
HMS3713N15
Molsidolat
(1E)-1-ethoxy-N-(3-morpholinooxadiazol-3-ium-5-yl)methanimidate;Molsidomine
SIN-10;Morsydomine
HMS1921A16
Tox21_110192
BRN 3999414
AB00513859-02
NCGC00024136-05
Tox21_110192_1
Prestwick3_000547
NCGC00261410-01
MOLSIDOMINE [WHO-DD]
AB00513859
Opera_ID_238
DTXCID8025171
NCGC00015661-10
MOLSIDOMINE [JAN]

MDL Number

MFCD00869301

Customs Code

2934999090

FAQ

What is (E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate (CAS: 25717-80-0)?

(E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate is a complex organic compound with a unique structure, characterized by its ethoxy substituent and a 3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl group. It is a colorless or white crystalline solid with a molecular weight of approximately 358.4 g/mol. The compound exhibits specific solubility and thermal properties that make it suitable for various applications.

What are the main uses of (E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate (CAS: 25717-80-0)?

(E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate is primarily used in pharmaceuticals for its potential analgesic and anti-inflammatory properties. It is also explored in materials science for its ability to enhance the performance of certain polymer-based composites. Furthermore, it may have applications in research as a reagent or intermediate.

Is (E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate (CAS: 25717-80-0) safe?

The safety of (E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate depends on the method of exposure. It is generally considered safe when handled with proper personal protective equipment, such as gloves and goggles. However, it should be used in a well-ventilated area to avoid inhalation and ingestion. Direct contact with the skin or eyes should be avoided, and immediate washing is recommended if contact occurs.

How should (E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate (CAS: 25717-80-0) be stored?

(E)-Ethoxy{[3-(4-morpholinyl)-1,2,3-oxadiazol-3-ium-5-yl]imino}methanolate should be stored at a temperature below 25°C in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated and free from incompatible substances to ensure safety and stability of the compound.