Molsidomine

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Systematic / IUPAC Name: 1-Ethoxy-N-(3-morpholino-5-oxadiazol-3-iumyl)methanimidate

ID: Reference2392

Other Names: Ethyl N-(3-morpholino-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)carbamate;
N-(Ethoxycarbonyl)-3-(4-morpholino)sydnone imine;
5-[(Ethoxycarbonyl)imino]-3-(4-morpholinyl)-5H-1,2,3-oxadiazol-3-ium-2-ide

Formula: C9H14N4O4

Class: Therapeutics/Prescription Drugs

Spectral Data

Molsidomine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/9/2015 11:37:30 AM
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Identificators

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/b10-8-
InChI Key XLFWDASMENKTKL-NTMALXAHSA-N
Canonical SMILES CCOC(=O)/N=C\1/C=N(=NO1)N2CCOCC2
CAS 25717800
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Other Names Ethyl N-(3-morpholino-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)carbamate;
N-(Ethoxycarbonyl)-3-(4-morpholino)sydnone imine;
5-[(Ethoxycarbonyl)imino]-3-(4-morpholinyl)-5H-1,2,3-oxadiazol-3-ium-2-ide

In Other Databases

ChEMBL CHEMBL1256353
ChemSpider 24608574
Wikipedia Molsidomine