RefChem:313648
3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Also Known As: 6-Methylthio-1-(3,4,5-trimethoxyphenyl)-3-methyl-1,2,3,4-tetrahydro-beta-carboline HCl|9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1- (3,4,5-trimethoxyphenyl)-, hydrochloride|3-Methyl-6-(methylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)|3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride|9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-3-methyl-6-methylthio-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
| Molecular Formula | C22H27ClN2O3S |
|---|---|
| Molecular Weight | 434.1431 g/mol |
| LogP | 4.961 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.1431 |
| Monoisotopic Mass | 434.1431 |
| Heavy Atoms | 29 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 13574-91-9 |
|---|---|
| SMILES | CC1CC2=C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)NC4=C2C=C(C=C4)SC.Cl |
| InChIKey | JXNCMHDLLNTDQW-UHFFFAOYSA-N |
Product Overview
RefChem:313648 (CAS 13574-91-9), with molecular formula C22H27ClN2O3S and molecular weight 434.1431 g/mol. IUPAC: 3-methyl-6-methylsulfanyl-1-(3,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
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