Molsidomine - 10mM in DMSO , CAS No.25717-80-0

CAS: 25717-80-0 Cat. No.: M422899 Summenformel: C₉H₁₄N₄O₄ Molekulargewicht: 242.24 EG-Nummer: 247-207-4

GRADE & PURITY 10mM in DMSO

Synonyms

HMS2235B12 | NCGC00015661-08 | AKOS026749793 | MLS000028573 | Corvaton | DB09282 | NCGC00015661-03 | s4664 | 1-Propanol, 2-amino-, (.+/-.)- | HMS2089L03 | N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]carbamic acid ethyl ester | roxatidine-acetate | 2-Nitro-1-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

HMS2235B12 | NCGC00015661-08 | AKOS026749793 | MLS000028573 | Corvaton | DB09282 | NCGC00015661-03 | s4664 | 1-Propanol, 2-amino-, (.+/-.)- | HMS2089L03 | N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]carbamic acid ethyl ester | roxatidine-acetate | 2-Nitro-1-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Long-lasting NO donor and vasodilator that requires hepatic metabolism for activity. Activates guanylate cyclase.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528770725
• Kanonisches Lächeln: CCOC(=NC1=C[N+](=NO1)N2CCOCC2)[O-]
• IUPAC Name: (1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
• InChIKey: XLFWDASMENKTKL-UHFFFAOYSA-N
• 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
• Isomere SMILES: CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]
• WGK Deutschland: 3
• RTECS: WU7677400
• Molekulargewicht: 242.24
• Reaxy-Rn: 3996945
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3996945&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Carbonic acid derivative - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat Sensitive
• Schmelzpunkt (°C): 141 °C
• Molekulargewicht: 242.230 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 242.102 Da
• Monoisotopic Mass: 242.102 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1