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CHEBI:92246 - N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine

Default Structure
ChEBI IDCHEBI:92246
ChEBI NameN1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC13H22N4O3S
Net Charge0
Average Mass314.411
Monoisotopic Mass314.14126
SMILESCNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
InChIInChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3
InChIKeyVMXUWOKSQNHOCA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N1'-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N1-methyl-2-nitroethene-1,1-diamine (CHEBI:92246) is a aralkylamine (CHEBI:18000)
Synonyms  Source
ranitidine HClDrugCentral
ranitidine hydrochlorideDrugCentral
zantacDrugCentral
zenetacDrugCentral
Manual XrefsDatabases
2358DrugCentral
LSM-2298LINCS
Registry NumbersSources
CAS:66357-35-5DrugCentral