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CHEBI:31279 - bethanidine sulfate

ChEBI IDCHEBI:31279
ChEBI Namebethanidine sulfate
Stars
Last Modified5 April 2007
DownloadsMolfile
Formula2C10H16N3.O4S
Net Charge0
Average Mass452.581
Monoisotopic Mass452.22057
SMILESCN/C(NCc1ccccc1)=[NH+]\C.CN/C(NCc1ccccc1)=[NH+]\C.O=S(=O)([O-])[O-]
InChIInChI=1S/2C10H15N3.H2O4S/c2*1-11-10(12-2)13-8-9-6-4-3-5-7-9;1-5(2,3)4/h2*3-7H,8H2,1-2H3,(H2,11,12,13);(H2,1,2,3,4)
InChIKeyYTIJUXVIZLYQTB-UHFFFAOYSA-N
Roles Classification
Application:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
bethanidine sulfate (CHEBI:31279) has functional parent bethanidine (CHEBI:37937)
bethanidine sulfate (CHEBI:31279) has role antihypertensive agent (CHEBI:35674)
bethanidine sulfate (CHEBI:31279) is a alkylammonium sulfate (CHEBI:38015)
IUPAC Name 
bis{N-[(benzylamino)(methylamino)methylidene]methanaminium} sulfate
Synonyms  Source
bethanidine sulfateChemIDplus
TenathanKEGG DRUG
RegulinChemIDplus
1-benzyl-2,3-dimethylguanidinium sulfateChemIDplus
1-benzyl-2,3-dimethylguanidine sulfateChemIDplus
N-benzyl-N',N''-dimethylguanidine sulfateChemIDplus
Manual XrefsDatabases
D01603KEGG DRUG
Registry NumbersSources
CAS:114-85-2KEGG DRUG
CAS:114-85-2ChemIDplus