N,N-Didesmethyl Diltiazem Hydrochloride

Base Information

• Chemical Name: N,N-Didesmethyl Diltiazem Hydrochloride
• CAS No.: 116050-35-2
• Molecular Formula: C20H23ClN2O4S
• Molecular Weight: 422.9
• DSSTox Substance ID: DTXSID90747619
• Mol file: 116050-35-2.mol

Synonyms:N,N-Didesmethyl Diltiazem Hydrochloride;116050-35-2;[(2S,3S)-5-(2-aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride;(2S,3S)-N,N-Didemethyldiltiazem Hydrochloride;DTXSID90747619;AFGVHOBXBDWFNW-VOMIJIAVSA-N;(2S-cis)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Monohydrochloride;J-003373;(2S,3S)-5-(2-Aminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate--hydrogen chloride (1/1)

Chemical Property of N,N-Didesmethyl Diltiazem Hydrochloride

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 422.1067061
• Heavy Atom Count: 28
• Complexity: 524

Purity/Quality:

99% ^*data from raw suppliers

N,N-DidesmethylDiltiazemHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC.Cl
• Isomeric SMILES: CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN)C3=CC=C(C=C3)OC.Cl
• Uses: A metabolite of Diltiazem (D460620).