CHEBI:31279 - bethanidine sulfate

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ChEBI Name bethanidine sulfate
ChEBI ID CHEBI:31279
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H32N6O4S
Net Charge 0
Average Mass 452.57212
Monoisotopic Mass 452.22057
InChI InChI=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)
InChIKey YTIJUXVIZLYQTB-UHFFFAOYSA-N
SMILES [O-]S([O-])(=O)=O.CN\C(NCc1ccccc1)=[NH+]/C.CN\C(NCc1ccccc1)=[NH+]/C
Roles Classification
Application(s): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing 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 Sources
1-benzyl-2,3-dimethylguanidine sulfate ChemIDplus
1-benzyl-2,3-dimethylguanidinium sulfate ChemIDplus
bethanidine sulfate ChemIDplus
N,N'-dimethyl-N''-(phenylmethyl)guanidine sulfate (2:1) ChemIDplus
N-benzyl-N',N''-dimethylguanidine sulfate ChemIDplus
Regulin ChemIDplus
Tenathan KEGG DRUG
Manual Xref Database
D01603 KEGG DRUG
View more database links
Registry Numbers Types Sources
114-85-2 CAS Registry Number KEGG DRUG
114-85-2 CAS Registry Number ChemIDplus
Last Modified
05 April 2007