3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-, methanesulfonate, hydrate (2:4:1)

CAS Registry Number®

625375-84-0

CAS Name

3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-, methanesulfonate, hydrate (2:4:1)

Molecular Formula

C38H38N4O6.2CH4O3S.H2O

Cite this Page

3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-, methanesulfonate, hydrate (2:4:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=625375-84-0 (retrieved 2024-11-22) (CAS RN: 625375-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H38N4O6.CH4O3S.H2O/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27;1-5(2,3)4;/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43);1H3,(H,2,3,4);1H2

InChIKey

InChIKey=PXAYXEZHYINIDR-UHFFFAOYSA-N

SMILES

N(C(=O)C1=CC2=C(N=C1)C=CC=C2)C3=C(C(NC4=CC=C(CCN5CC=6C(CC5)=CC(OC)=C(OC)C6)C=C4)=O)C=C(OC)C(OC)=C3.S(C)(=O)(=O)O.O

Canonical SMILES

O=C(NC1=CC(OC)=C(OC)C=C1C(=O)NC2=CC=C(C=C2)CCN3CC4=CC(OC)=C(OC)C=C4CC3)C5=CN=C6C=CC=CC6=C5.O=S(=O)(O)C.O

Other Names for this Substance

  • 3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-, methanesulfonate, hydrate (2:4:1)
  • 3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-, dimethanesulfonate, monohydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration