CHEBI:50973 - debrisoquin sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name debrisoquin sulfate
ChEBI ID CHEBI:50973
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae (C10H13N3)2.H2SO4
C20H28N6O4S
Net Charge 0
Average Mass 448.54036
Monoisotopic Mass 448.18927
InChI InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)
InChIKey CAYGYVYWRIHZCQ-UHFFFAOYSA-N
SMILES [H+].[H+].[O-]S([O-])(=O)=O.NC(=N)N1CCc2ccccc2C1.NC(=N)N1CCc2ccccc2C1
ChEBI Ontology
Outgoing debrisoquin sulfate (CHEBI:50973) is a organic sulfate salt (CHEBI:51337)
IUPAC Name
bis(3,4-dihydroisoquinoline-2(1H)-carboximidamide) sulfate
Synonyms Sources
1,2,3,4-Tetrahydro-isoquinoline-2-carboxamidine sulfate ChemIDplus
2(1H)-Isoquinolinecarboximidamide, 3,4-dihydro-, sulfate(2:1) ChemIDplus
Debrisoquin hemisulfate ChemIDplus
Isocaramidine sulfate ChemIDplus
Manual Xrefs Databases
D03664 KEGG DRUG
DB04840 DrugBank
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Registry Number Type Source
581-88-4 CAS Registry Number ChemIDplus
Last Modified
09 January 2009