Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: (s)-tofisopam, 11zyl7qk34, 82059-51-6, (-)-(5s)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine, Levotofisopam [usan], Levotofisopam [usan:inn]
Molecular Formula
C22H26N2O4
Molecular Weight
382.5  g/mol
InChI Key
RUJBDQSFYCKFAA-OAHLLOKOSA-N
FDA UNII
11ZYL7QK34

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5S)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
2.1.2 InChI
InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3/t15-/m1/s1
2.1.3 InChI Key
RUJBDQSFYCKFAA-OAHLLOKOSA-N
2.1.4 Canonical SMILES
CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
2.1.5 Isomeric SMILES
CC[C@@H]1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
2.2 Other Identifiers
2.2.1 UNII
11ZYL7QK34
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine

2. Dextofisopam

3. Egyt-341

4. Grandaxin

5. Tofisopam

6. Tofizopam

2.3.2 Depositor-Supplied Synonyms

1. (s)-tofisopam

2. 11zyl7qk34

3. 82059-51-6

4. (-)-(5s)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5h-2,3-benzodiazepine

5. Levotofisopam [usan]

6. Levotofisopam [usan:inn]

7. Unii-11zyl7qk34

8. Levotofisopam [inn]

9. Levotofisopam (usan/inn)

10. Schembl5431173

11. Chembl2107351

12. Zinc3831552

13. D04721

14. Q27251353

15. (5s)-1-(3,4-dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5h-2,3-benzodiazepine

16. 5h-2,3-benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-, (5s)-

17. 5h-2,3-benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl, (5s)-

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 382.5 g/mol
Molecular Formula C22H26N2O4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass382.18925731 g/mol
Monoisotopic Mass382.18925731 g/mol
Topological Polar Surface Area61.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antidepressive Agents

Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems. (See all compounds classified as Antidepressive Agents.)