ID | 2907 |
Name | Papaverine adenylate |
Pubchem ID | 83861 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Unknown |
Drug Like Properties | No |
Molecular Weight | 686.61 |
Exact mass | 686.210143 |
Molecular formula | C30H35N6O11P |
XlogP | N/A |
Topological Polar Surface Area | 236 |
H-Bond Donor | 5 |
H-Bond Acceptor | 16 |
Rotational Bond Count | 10 |
IUPAC Name | [(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyldihydrogen phosphate;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O |
Isomeric SMILE | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |