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Substance Name: ((7-(2-(1-(m,p-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)-2-oxoethoxy)-4-oxo-2-phenyl-4H-1-benzopyran-5-yl)oxy)acetic acid, compound with 2,2'-iminodiethanol (1:1)
RN: 41988-33-4
InChIKey: HHMQJMBHHVBKFY-UHFFFAOYSA-N

Molecular Formula

  • C39-H37-N-O11.C4-H11-N-O2

Molecular Weight

  • 800.8532
 
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Names and Synonyms

Synonym

  • EINECS 255-605-4

Systematic Name

  • ((7-(2-(1-(m,p-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)-2-oxoethoxy)-4-oxo-2-phenyl-4H-1-benzopyran-5-yl)oxy)acetic acid, compound with 2,2'-iminodiethanol (1:1)

Registry Numbers

CAS Registry Number

  • 41988-33-4

System Generated Number

  • 0041988334

Molecular Formulas

Molecular Formula

  • C39-H37-N-O11.C4-H11-N-O2

Molecular Formula Fragments

  • C39-H37-N-O11
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C39H37NO11.C4H11NO2/c1-45-30-11-10-23(15-32(30)46-2)14-28-27-19-34(48-4)33(47-3)16-25(27)12-13-40(28)37(42)21-49-26-17-35(50-22-38(43)44)39-29(41)20-31(51-36(39)18-26)24-8-6-5-7-9-24;6-3-1-5-2-4-7/h5-11,15-20,28H,12-14,21-22H2,1-4H3,(H,43,44);5-7H,1-4H2

InChIKey

HHMQJMBHHVBKFY-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2C(=O)COc4cc5c(c(=O)cc(o5)c6ccccc6)c(c4)OCC(=O)O)OC)OC.C(CO)NCCO