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Substance Name: TPBE
RN: 85851-95-2
InChIKey: BYACLYDBJDQHHY-RMKNXTFCSA-N

Note

  • Anti-angina cpd.

Molecular Formula

  • C33-H44-N2-O10

Molecular Weight

  • 628.715
 
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Names and Synonyms

Results Name

  • TPBE

Name of Substance

  • 2,3-Dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester

Synonyms

  • EINECS 288-656-6
  • TPBE

Systematic Names

  • 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester
  • 3-Methylbutyl 2,3-dihydro-8-(2-hydroxy-3-(4-(3',4',5'-trimethoxycinnamoyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylate

Registry Numbers

CAS Registry Number

  • 85851-95-2

System Generated Number

  • 0085851952

Structure Descriptors

InChI

1S/C33H44N2O10/c1-22(2)10-15-44-33(38)25-7-8-26(32-30(25)42-16-17-43-32)45-21-24(36)20-34-11-13-35(14-12-34)29(37)9-6-23-18-27(39-3)31(41-5)28(19-23)40-4/h6-9,18-19,22,24,36H,10-17,20-21H2,1-5H3/b9-6+

InChIKey

BYACLYDBJDQHHY-RMKNXTFCSA-N

Smiles

O1CCOc2c1c(ccc2C(=O)OCCC(C)C)OC[C@@H](CN1CCN(CC1)C(\C=C\c1cc(c(c(c1)OC)OC)OC)=O)O