CHEBI:82812 - diltiazem(1+)

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ChEBI Name diltiazem(1+)
ChEBI ID CHEBI:82812
Definition An ammonium ion resulting from the protonation of the nitrogen of the dimethylaminoethyl substituent of diltiazem. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H27N2O4S
Net Charge +1
Average Mass 415.52500
Monoisotopic Mass 415.16860
InChI InChI=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+/m1/s1
InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-O
SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O
Roles Classification
Biological Role(s): histamine agonist
A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically.
calcium channel blocker
One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
histamine agonist
A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically.
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ChEBI Ontology
Outgoing diltiazem(1+) (CHEBI:82812) has role calcium channel blocker (CHEBI:38215)
diltiazem(1+) (CHEBI:82812) has role histamine agonist (CHEBI:35678)
diltiazem(1+) (CHEBI:82812) has role vasodilator agent (CHEBI:35620)
diltiazem(1+) (CHEBI:82812) is a ammonium ion derivative (CHEBI:35274)
diltiazem(1+) (CHEBI:82812) is conjugate acid of diltiazem (CHEBI:101278)
diltiazem(1+) (CHEBI:82812) is enantiomer of ent-diltiazem(1+) (CHEBI:82816)
Incoming diltiazem hydrochloride (CHEBI:645509) has part diltiazem(1+) (CHEBI:82812)
diltiazem (CHEBI:101278) is conjugate base of diltiazem(1+) (CHEBI:82812)
ent-diltiazem(1+) (CHEBI:82816) is enantiomer of diltiazem(1+) (CHEBI:82812)
IUPAC Name
2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium
Last Modified
29 August 2014