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diltiazem(1+)

CHEBI: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.

Chemical Information

Molecular Formula
C22H27N2O4S
Molecular Mass
415.52500
Charge
+1
SMILES
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CC[NH+](C)C)C(=O)[C@@H]1OC(C)=O
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

Alternative Names

  • 2-[(2S,3S)-3-acetoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:82812

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Additional Attributes

chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_101278
chebi#is_enantiomer_of
http://purl.obolibrary.org/obo/CHEBI_82816
owl#someValuesFrom
t304080
owl#annotatedSource
t303447
oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:82812
core#notation
CHEBI:82812
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35678
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_101278
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class