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CHEBI:50973 - debrisoquin sulfate

ChEBI IDCHEBI:50973
ChEBI Namedebrisoquin sulfate
Stars
Last Modified9 January 2009
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.2C10H13N3.O4S
Net Charge0
Average Mass448.549
Monoisotopic Mass448.18927
SMILESN=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1.O=S(=O)([O-])[O-].[H+].[H+]
InChIInChI=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)
InChIKeyCAYGYVYWRIHZCQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
debrisoquin sulfate (CHEBI:50973) is a organic sulfate salt (CHEBI:51337)
IUPAC Name 
bis(3,4-dihydroisoquinoline-2(1H)-carboximidamide) sulfate
Synonyms  Source
1,2,3,4-Tetrahydro-isoquinoline-2-carboxamidine sulfateChemIDplus
2(1H)-Isoquinolinecarboximidamide, 3,4-dihydro-, sulfate(2:1)ChemIDplus
Debrisoquin hemisulfateChemIDplus
Isocaramidine sulfateChemIDplus
Manual XrefsDatabases
D03664KEGG DRUG
DB04840DrugBank
Registry NumbersSources
CAS:581-88-4ChemIDplus