Diltiazem

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Properties Simple | Detailed

Formula C22H26N2O4S
IUPAC Name [(2s,3s)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Molecular Mass 414.518 g·mol−1
Heat of Formation -492.4 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 488.64 Å 3
Surface Area 402.38 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-5-[2-(dimethylamino)ethyl]-2-[4-(methyloxy)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate
  • 1,5-benzothiazepin-4(5h)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2s-cis)-
  • 1,5-benzothiazepin-4(5h)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2s,3s)-
  • 144604-00-2 (malate)
  • 33286-22-5 (hydrochloride)
  • [(2s,3s)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
  • [(2s,3s)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate
  • acalix
  • acetic acid [(2s,3s)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
  • acetic acid [(2s,3s)-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
  • anoheal
  • bio1_000371
  • bio1_000860
  • bio1_001349
  • bpbio1_000230
  • cardizem (hydrochloride)
  • d-cis-diltiazem
  • dilcontin
  • dilta-hexal
  • dilticard
  • dilzen
  • endrydil
  • incoril ap
  • mk-793 (malate)
  • rg 83606 (hydrochloride)
  • tocris-0685
CAS Number(s)
  • 42399-41-7
InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
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