| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 26 | Yes |
Popular Name: laudanosine laudanosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1699-51-0 , 2688-77-9 , [1699-51-0]
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
1699-51-0; Laudanosine (R,S); Prestwick_292
2688-77-9; C09558; Laudanosine
C21H27NO4; EINECS 220-253-2; LS-174166; Laudanosine; NSC 35045
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.99 | 9.04 | -50 | 1 | 5 | 1 | 41 | 358.458 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 7.35 | -11.45 | 0 | 5 | 0 | 40 | 357.45 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115°C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0108147A1; EP0259417A1; EP0355575A2; EP0355575B1; EP0748247A1; EP0872903A1; EP1003494A1; US3950344; US4018927; US4120964; US4192877; US4235906; US4279914; US4370331; US4457813; US4491665; US4757124; US4758639; US4761417; US4800081; US4849412; US4873349 | IBM Patent Data |
