Donetidine

Base Information

• Chemical Name: Donetidine
• CAS No.: 99248-32-5
• Molecular Formula: C20H25 N5 O3 S
• Molecular Weight: 415.516
• UNII: E9730RXS4H
• DSSTox Substance ID: DTXSID60912817
• Nikkaji Number: J39.196D
• Wikidata: Q27277040
• NCI Thesaurus Code: C77439
• ChEMBL ID: CHEMBL2104272
• Mol file: 99248-32-5.mol

Synonyms:5-(1,2-dihydro-2-oxopyrid-4-ylmethyl)-2-(2-(5-(dimethylaminomethyl)furanylmethylthio)ethylamino)pyrimidin-4(1H)-one;donetidine;SK and F 93574;SK and F-93574;SKF 93574

Chemical Property of Donetidine

Chemical Property:

• PSA: 136.07000
• Density: 1.33g/cm³
• LogP: 2.29540
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 415.16781085
• Heavy Atom Count: 29
• Complexity: 744

Purity/Quality:

DONETIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=O)NC=C3
• Uses: Antagonist (to histamine H2receptors). .

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