| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 28 | No |
Popular Name: Tofisopam Tofisopam
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134308-13-7 , 22345-47-7 , 82059-51-6 , [134308-13-7] , [22345-47-7]
(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanon
(3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
(3,4-dihydroxy-5-nitrophˇnyl)(4-mˇthylphˇnyl)mˇthanone
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
22345-47-7; D01254; Emandaxin (TN); Tofisopam (JP16/INN)
3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone
82059-51-6; D04721; Levotofisopam (USAN/INN)
methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-tolcapone
| 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) | 3.66 | 8.2 | -14.87 | 0 | 6 | 0 | 62 | 382.46 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.39e-03 g/l | DrugBank-approved |
