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CHEBI:755862 - calcium hexamine thiocyanate

Default Structure
ChEBI IDCHEBI:755862
ChEBI Namecalcium hexamine thiocyanate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCNS.C6H12N4.CNS.Ca
Net Charge0
Average Mass296.438
Monoisotopic Mass296.01908
SMILESC1N2CN3CN1CN(C2)C3.N#C[S-].N#C[S-].[Ca+2]
InChIInChI=1S/C6H12N4.2CHNS.Ca/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*2-1-3;/h1-6H2;2*3H;/q;;;+2/p-2
InChIKeyMYCYALXPHWPBMJ-UHFFFAOYSA-L
Roles Classification
Application:
nasal decongestant  A drug used to relieve nasal congestion in the upper respiratory tract.
ChEBI Ontology
Outgoing Relation(s)
calcium hexamine thiocyanate (CHEBI:755862) has role nasal decongestant (CHEBI:77715)
calcium hexamine thiocyanate (CHEBI:755862) is a 1,3,5-triazinanes (CHEBI:38779)
Synonym  Source
Calcium hexamine thiocyanateChEMBL