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CHEBI:61214 - promethazine(1+)

ChEBI IDCHEBI:61214
ChEBI Namepromethazine(1+)
Stars
DefinitionAn ammonium ion that results from the protonation of the dimethyl-substituted nitrogen of promethazine.
Last Modified4 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H21N2S
Net Charge+1
Average Mass285.436
Monoisotopic Mass285.14200
SMILESCC(CN1c2ccccc2Sc2ccccc21)[NH+](C)C
InChIInChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/p+1
InChIKeyPWWVAXIEGOYWEE-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
promethazine(1+) (CHEBI:61214) is a ammonium ion derivative (CHEBI:35274)
promethazine(1+) (CHEBI:61214) is conjugate acid of promethazine (CHEBI:8461)
Incoming Relation(s)
promethazine hydrochloride (CHEBI:8462) has part promethazine(1+) (CHEBI:61214)
promethazine (CHEBI:8461) is conjugate base of promethazine(1+) (CHEBI:61214)
IUPAC Name 
N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-aminium
Synonyms  Source
promethazine cationChEBI
promethaziniumChEBI
Registry NumbersSources
Reaxys:4263748Reaxys