skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > desmethylranitidine
organic heterocyclic compound > organic heteromonocyclic compound > furans > desmethylranitidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > desmethylranitidine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > desmethylranitidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > secondary amino compound > desmethylranitidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > secondary amino compound > desmethylranitidine

Preferred term

desmethylranitidine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H20N4O3S

has_role

inchi

  • InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3

inchikey

  • WZLBVRXZNDXPPW-UHFFFAOYSA-N

mass

  • 300.379

monoisotopicmass

  • 300.12561

smiles

  • [O-][N+](=O)C=C(NCCSCC=1OC(CNC)=CC1)NC

subset

  • 3_STAR

synonym EXACT

  • N(1)-methyl-N'(1)-{2-[({5-[(methylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-2-nitroethene-1,1-diamine

synonym RELATED

  • 5-Desmethylranitidine
  • desmethyl ranitidine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132051

Download this concept:

RDF/XML TURTLE JSON-LD