(R)-laudanosine
PubChem CID: 978314
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| Compound Synonyms | (R)-laudanosine, 85-63-2, (-)-Laudanosine, D-Laudanosine, O-Methyllaudanidine, Laudanosine, (R)-, EO6NL5AZ5Z, UNII-EO6NL5AZ5Z, (R)-Laudanosine [USP], (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline, (R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinoline, (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline, Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R)-, (R)-N-methyltetrahydropapaverine, (R)-(-)-laudanosine, CHEMBL1613, SCHEMBL6130845, CHEBI:136734, KGPAYJZAMGEDIQ-QGZVFWFLSA-N, (R)-LAUDANOSINE [USP IMPURITY], CISATRACURIUM BESILATE IMPURITY C [EP IMPURITY], (1R)-6,7-Dimethoxy-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroisoquinoline |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C21H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KGPAYJZAMGEDIQ-QGZVFWFLSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.039 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.095 |
| Compound Name | (R)-laudanosine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 357.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 357.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 357.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.313828461538462 |
| Inchi | InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m1/s1 |
| Smiles | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Thalictrum Dasycarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all