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
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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.H2OCite 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 ) (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
