Cas no 143526-87-8 (3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-)
143526-87-8 structure
Product Name:3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-
CAS No:143526-87-8
MF:C20H23NO5
MW:357.400326013565
CID:149641
PubChem ID:132565
Update Time:2025-04-19
3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-
- [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
- (S)-1-(3,5-Dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-3-isoquinolinemethanol
- 3-Isoquinolinemethanol, 1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (S)-
- 6,7-Dimethoxy-1-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydroisoquinoline
- Sdz isq 844
- Sdz-isq-844
- [1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
- DTXSID00931941
- 143526-87-8
- SDZ-ISQ 844
- SCHEMBL7298437
- (S)-(1-(3,5-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl)methanol
-
- Inchi： 1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m0/s1
- InChI Key： GHBUMWHHZFGRDI-AWEZNQCLSA-N
- SMILES： OC[C@@H]1CC2C=C(C(=CC=2C(C2C=C(C=C(C=2)OC)OC)=N1)OC)OC
Computed Properties
- Exact Mass: 357.158
- Monoisotopic Mass: 357.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 473
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 69.5?2
Experimental Properties
- Density: 1.21
- Boiling Point: 529.8°Cat760mmHg
- Flash Point: 274.2°C
- Refractive Index: 1.566
3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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