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CHEBI:82816 - ent-diltiazem(1+)

ChEBI IDCHEBI:82816
ChEBI Nameent-diltiazem(1+)
Stars
ASCII Nameent-diltiazem(1+)
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of ent-diltiazem. The major species at pH 7.3.
Last Modified29 August 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H27N2O4S
Net Charge+1
Average Mass415.535
Monoisotopic Mass415.16860
SMILESCOc1ccc([C@H]2Sc3ccccc3N(CC[NH+](C)C)C(=O)[C@H]2OC(C)=O)cc1
InChIInChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/p+1/t20-,21+/m0/s1
InChIKeyHSUGRBWQSSZJOP-LEWJYISDSA-O
Roles Classification
Biological Role:
potassium channel blocker  An agent that inhibits cell membrane glycoproteins that are selectively permeable to potassium ions.
ChEBI Ontology
Outgoing Relation(s)
ent-diltiazem(1+) (CHEBI:82816) has role potassium channel blocker (CHEBI:50509)
ent-diltiazem(1+) (CHEBI:82816) is a ammonium ion derivative (CHEBI:35274)
ent-diltiazem(1+) (CHEBI:82816) is conjugate acid of ent-diltiazem (CHEBI:82813)
ent-diltiazem(1+) (CHEBI:82816) is enantiomer of diltiazem(1+) (CHEBI:82812)
Incoming Relation(s)
ent-diltiazem hydrochloride (CHEBI:82817) has part ent-diltiazem(1+) (CHEBI:82816)
ent-diltiazem (CHEBI:82813) is conjugate base of ent-diltiazem(1+) (CHEBI:82816)
diltiazem(1+) (CHEBI:82812) is enantiomer of ent-diltiazem(1+) (CHEBI:82816)
IUPAC Name 
2-[(2R,3R)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium