Cas no 85611-40-1 ((1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline)
![(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline structure](https://ossimg.kuujia.com/scimg/86000/85611-40-1x500.png)
85611-40-1 structure
Product Name:(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
CAS No:85611-40-1
MF:C22H29NO4
MW:371.469966650009
CID:1846200
PubChem ID:158838
Update Time:2025-04-21
(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- (1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
- Isoquinoline, 1-(2-(3,4-dimethoxyphenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1S)-
- (1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- S-(+)-Homolaudanosine
- 85611-40-1
- Homolaudanosine, (+)-
- (+)-Homolaudanosine
- DTXSID50234838
- (S)-Homolaudanosine
-
- Inchi： 1S/C22H29NO4/c1-23-11-10-16-13-21(26-4)22(27-5)14-17(16)18(23)8-6-15-7-9-19(24-2)20(12-15)25-3/h7,9,12-14,18H,6,8,10-11H2,1-5H3/t18-/m0/s1
- InChI Key： AECKSTRRHRODOS-SFHVURJKSA-N
- SMILES： O(C)C1C(=CC2CCN(C)[C@@H](CCC3C=CC(=C(C=3)OC)OC)C=2C=1)OC
Computed Properties
- Exact Mass: 371.20965841g/mol
- Monoisotopic Mass: 371.20965841g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 448
- 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: 4
- Topological Polar Surface Area: 40.2?2
(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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