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Substance Name: Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate
RN: 64228-78-0
InChIKey: NGJVDNJEQWIMBU-UHFFFAOYSA-N

Molecular Formula

  • C51-H66-N2-O12.2C2-H2-O4

Molecular Weight

  • 1079.152
 
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Names and Synonyms

Synonym

  • EINECS 264-741-3

Systematic Name

  • Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate

Registry Numbers

CAS Registry Number

  • 64228-78-0

System Generated Number

  • 0064228780

Molecular Formulas

Molecular Formula

  • C51-H66-N2-O12.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C51-H66-N2-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)

InChIKey

NGJVDNJEQWIMBU-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCc5cc(c(cc5C4Cc6ccc(c(c6)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O