Desacetyl diltiazem

enlarge

Systematic / IUPAC Name: 5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

ID: Reference2014

Other Names: 1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-

Formula: C20H24N2O3S

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Sports Doping Drugs

Spectral Data

Desacetyl diltiazem mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 9:47:58 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H24N2O3S/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14/h4-11,18-19,23H,12-13H2,1-3H3
InChI Key NZHUXMZTSSZXSB-UHFFFAOYSA-N
Canonical SMILES CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)OC
CAS 42399406
Splash
Other Names 1,5-Benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-

In Other Databases

ChemSpider 9243880
ChEMBL CHEMBL111670
PubChem 11068728