(2S,3S)-5-[2-(Dimethylamino)Ethyl]-2-(4-Methoxyphenyl)-4-Oxo-2,3,4,5-Tetrahydro-1,5-Benzothiazepin-3-Yl 4-Azidobenzoate

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Formula C27H27N5O4S
IUPAC Name [(2s,3s)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-azidobenzoate
Molecular Mass 517.599 g·mol−1
Heat of Formation 4115.9 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 562.58 Å 3
Surface Area 480.79 Å 2
Point Group Symmetry C1
Synonyms
  • (2s-cis)-5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate
  • 3-(4-azidobenzoyloxy)diltiazem
  • 3-abod
  • 4-azidobenzoic acid [(2s,3s)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
  • 4-azidobenzoic acid [(2s,3s)-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester
  • 5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl 4-azidobenzoate (2s-cis)-
  • benzoic acid, 4-azido-, 5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl ester, (2s-cis)-
CAS Number(s)
  • 128127-11-7
InChIKey MPGFEEAANFEWIW-RPBOFIJWSA-N
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