ID | 2501 |
Name | L-CSLMS |
Pubchem ID | 6918538 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Dopamine D1 agonist |
Drug Like Properties | No |
Molecular Weight | 457.93 |
Exact mass | 457.096201 |
Molecular formula | C20H24ClNO7S |
XlogP | N/A |
Topological Polar Surface Area | 117 |
H-Bond Donor | 3 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 2 |
IUPAC Name | (13aS)-12-chloro-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; methanesulfonic acid |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC(=C2CC3C4=CC(=C(C=C4CCN3CC2=C1O)OC)O)Cl.CS(=O)(=O)O |
Isomeric SMILE | COC1=CC(=C2C[C@H]3C4=CC(=C(C=C4CCN3CC2=C1O)OC)O)Cl.CS(=O)(=O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |