2,2′-(1,5-Pentanediyl) bis[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate]

CAS Registry Number®

64228-84-8

CAS Name

2,2′-(1,5-Pentanediyl) bis[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate]

Molecular Formula

C51H66N2O12

Molecular Mass

899.08

Cite this Page

2,2′-(1,5-Pentanediyl) bis[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64228-84-8 (retrieved 2024-11-21) (CAS RN: 64228-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H66N2O12/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/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3/t40-,41-/m1/s1

InChIKey

InChIKey=KFNBBSMQNSQPPJ-GYOJGHLZSA-N

SMILES

C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CCN1CCC(OCCCCCOC(CCN3[C@H](CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C6=CC(OC)=C(OC)C=C6

Canonical SMILES

O=C(OCCCCCOC(=O)CCN1CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)CCN4CCC5=CC(OC)=C(OC)C=C5C4CC6=CC=C(OC)C(OC)=C6

Other Names for this Substance

  • 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 2,2′-(1,5-pentanediyl) ester, (1R,1′R)-
  • 2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester, [R-(R*,R*)]-
  • 2,2′-(1,5-Pentanediyl) bis[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate]

CAS INSIGHTSTM
Targeted protein degrader structure, illustration