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CS-W001157 4
Total: USD 88.00

(2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one hydrochloride Diltiazem Impurity

  • CAS No. 75472-91-2

  • Cat. No. CS-0531675
  • Molecule weight408.94
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one hydrochloride Diltiazem Impurity|CS-0531675

Structure of 75472-91-2

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General Information

  • CAS No. 75472-91-2
  • Cat. No. CS-0531675
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₅ClN₂O₃S
  • Molecular Weight 408.94
  • Synonym(s) Desacetyl Diltiazem Hydrochloride
  • SMILES CN(C)CCN1C2=CC=CC=C2S[C@](C3=CC=C(C=C3)OC)([H])[C@H](C1=O)O.Cl

Synthesis

  • Route1
    • null|null
      2419-67-2
    • ~%
    • (2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one hydrochloride Diltiazem Impurity|CS-0531675
      75472-91-2

    References

    • Adger, Brian M.; Barkley, James V.; Bergeron, Sophie; Cappi, Michael W.; Flowerdew, Benjamin E.; Jackson, Mark P.; McCague, Ray; Nugent, Thomas C.; Roberts, Stanley M. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 23 p. 3501 - 3507
  • Route2
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • ~%
    • (2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one hydrochloride Diltiazem Impurity|CS-0531675
      75472-91-2

    References

    • Adger, Brian M.; Barkley, James V.; Bergeron, Sophie; Cappi, Michael W.; Flowerdew, Benjamin E.; Jackson, Mark P.; McCague, Ray; Nugent, Thomas C.; Roberts, Stanley M. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 23 p. 3501 - 3507
  • Route3
    • null|null
      201804-22-0
    • ~%
    • (2S,3S)-5-(2-(Dimethylamino)ethyl)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one hydrochloride Diltiazem Impurity|CS-0531675
      75472-91-2

    References

    • Adger, Brian M.; Barkley, James V.; Bergeron, Sophie; Cappi, Michael W.; Flowerdew, Benjamin E.; Jackson, Mark P.; McCague, Ray; Nugent, Thomas C.; Roberts, Stanley M. Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 23 p. 3501 - 3507

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.01
  • LogP   3.2195
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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