(2R-trans)-Diltiazem Hydrochloride

Base Information

• Chemical Name: (2R-trans)-Diltiazem Hydrochloride
• CAS No.: 103532-27-0
• Molecular Formula: C22H26 N2 O4 S . Cl H
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID101035041
• Mol file: 103532-27-0.mol

Synonyms:(2R-trans)-Diltiazem Hydrochloride;103532-27-0;[(2R,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride;SCHEMBL10831293;DTXSID101035041;(2r,3s)-3-acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-meth-oxy-phenyl)-1,5-benzothiazepin-4(5h)one hydrochloride;(2R,3S)-5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate hydrochloride;(2R-trans)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2R,3S)-, hydrochloride (1:1)

Chemical Property of (2R-trans)-Diltiazem Hydrochloride

Chemical Property:

• PSA: 84.38000
• LogP: 4.23550
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 450.1380062
• Heavy Atom Count: 30
• Complexity: 565

Purity/Quality:

97% ^*data from raw suppliers

(2R-trans)-DiltiazemHydrochloride ^*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(C)C)C3=CC=C(C=C3)OC.Cl
• Isomeric SMILES: CC(=O)O[C@@H]1[C@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
• Uses: The R-trans-isomers of Diltiazem (2R-trans)-Diltiazem Hydrochloride (Diltiazem EP Impurity A) is the R-trans-isomers of Diltiazem (D460620).