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| CAS No.: | 22345-47-7 |
|---|---|
| Name: | Tofisopam |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C22H26N2O4 |
| Molecular Weight: | 382.459 |
| Synonyms: | 1-(3,4-Dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine;7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine;EGYT 341;Grandaxin;Seriel; |
| EINECS: | 244-922-3 |
| Density: | 1.155 g/cm3 |
| Melting Point: | 155-159°C |
| Boiling Point: | 478.973 °C at 760 mmHg |
| Flash Point: | 195.179 °C |
| Solubility: | DMSO: ~14 mg/mL |
| Appearance: | white powder |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-50 |
| Safety: | 60-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 61.64000 |
| LogP: | 3.31270 |
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Chemistry
Empirical Formula: C22H26N2O4
Molecular Weight: 382.4528
Melting Point: 155-159 °C
Index of Refraction: 1.558
Density: 1.15 g/cm3
Flash Point: 195.2 °C
Enthalpy of Vaporization: 71.48 kJ/mol
Boiling Point: 479 °C at 760 mmHg
Vapour Pressure: 7.13E-09 mmHg at 25 °C
Structure of Tofisopam (CAS NO.22345-47-7) :
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 6
IUPAC Name of Tofisopam (CAS NO.22345-47-7) : 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Canonical SMILES: CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
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
InChIKey: RUJBDQSFYCKFAA-UHFFFAOYSA-N
Uses
Tofisopam (CAS NO.22345-47-7) is used as a drug which is a benzodiazepine derivative. It is indicated for the treatment of anxiety and alcohol withdrawal, and it is prescribed in a dosage of 50 – 300 mg per day divided into three doses. It possesses anxiolytic properties but it does not have anticonvulsant, skeletal muscle relaxant, sedative, motor skill-impairing or amnestic properties.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1950mg/kg (1950mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| mouse | LD50 | intravenous | 415mg/kg (415mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| mouse | LD50 | oral | 3800mg/kg (3800mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| rat | LD50 | intraperitoneal | 1270mg/kg (1270mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| rat | LD50 | intravenous | 103mg/kg (103mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| rat | LD50 | oral | 825mg/kg (825mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
| rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 547, 1981. |
Safety Profile
Hazard Codes: 
Xn
N
Risk Statements: 22-50
R22:Harmful if swallowed.
R50:Very toxic to aquatic organisms.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: DE9540000
HazardClass: 6.1(b)
PackingGroup: III
Specification
Tofisopam ,its cas register number is 22345-47-7. It also can be called Grandaxin ; Dextofisopam ; 7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine and tofizopam . It is not reported as causing dependence to the same extent as other benzodiazepines, but is still recommended to be prescribed for a maximum of 12 weeks. Tofisopam (CAS NO.22345-47-7) is claimed to be a PDE10A inhibitor ,and so it may provide an alternative mechanism of action for its various therapeutic effects. This action is proposed to make tofisopam potentially useful as a treatment for schizophrenia.