HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 5502Erstellt: 3. November 2026

Tofisopam

SERIEL · Tosopam · EGYT 341 · TOFISOPAM · tofizopam · grandaxin · Tofisopam, >=99% · TOFISOPAM 22345-47-7

Identifikatoren & physikalische Daten

CAS No.	22345-47-7
Summenformel	C22H26N2O4
Durchschnittliche Molmasse	382,5 g/mol
Monoisotopische Masse	382,18925731 g/mol
SMILES	CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChIKey	RUJBDQSFYCKFAA-UHFFFAOYSA-N
PubChem CID	5502
ChEMBL	CHEMBL404216
ChEBI	CHEBI:32241
EC No.	244-922-3
DTXSID	DTXSID3023681
Lokaler Name	Tofisopam

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	61,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	6
Schwere Atome	28
Formalladung	0
Komplexität	579
Schmelzpunkt	152 °C155-159°C
Physical Description	Solid
Siedepunkt	509.61°C (rough estimate)
Dichte	1.2098 (rough estimate)
Brechungsindex	1.6500 (estimate)
Löslichkeit	DMSO: ~14 mg/mL
Aggregatzustand	solid
pKa (Säurekonstante)	7.29±0.40(Predicted)
Farbe	white
Merck	14,9503
Stabilität	Hygroscopic
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
SMILES	CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Treatment	General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.
Toxizitätsübersicht	Tofisopam does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor. One study (Rundfeldt C. et al.) has shown that tofisopam acts as an isoenzyme-selective inhibitor of phosphodiesterases (PDEs) with highest affinity to PDE-4A1 (0.42 _Мц_M) followed by PDE-10A1 (0.92 _Мц_M), PDE-3 (1.98 _Мц_M) and PDE-2A3 (2.11 _Мц_M).
Signs and Symptoms	The onset of impairment of consciousness is relatively rapid in benzodiazepine poisoning. Onset is more rapid following larger doses and with agents of shorter duration of action. The most common and initial symptom is somnolence. This may progress to coma (Grade I or Grade II) following very large ingestions.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Toxicity Data	Oral, Rat: LD50 = 825 mg/kg.
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN 3077 9/PG 3
Zollcode	2933.99.8290
RTECS-Nr.	DE9540000
R-Sätze (R)	22-50
Gefahrensymbole	Xn,N
Sicherheitshinweise (S)	60-61
Gefahrenklasse	6.1(b)Acute Tox. 4 OralAquatic Acute 1
Verpackungsgruppe	III
Lagerklasse	11 - Combustible Solids

Identifikatoren & physikalische Daten

CAS No.

22345-47-7

Summenformel

C22H26N2O4

Durchschnittliche Molmasse

382,5 g/mol

Monoisotopische Masse

382,18925731 g/mol

SMILES

CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21

InChIKey

RUJBDQSFYCKFAA-UHFFFAOYSA-N

PubChem CID

5502

ChEMBL

CHEMBL404216

ChEBI

CHEBI:32241

EC No.

244-922-3

DTXSID

DTXSID3023681

Lokaler Name

Tofisopam

Chemische & physikalische Eigenschaften

XLogP

3,2

Polarare Oberfläche (TPSA)

61,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

579

Schmelzpunkt

152 °C155-159°C

Physical Description

Solid

Siedepunkt

509.61°C (rough estimate)

Dichte

1.2098 (rough estimate)

Brechungsindex

1.6500 (estimate)

Löslichkeit

DMSO: ~14 mg/mL

Aggregatzustand

solid

pKa (Säurekonstante)

7.29±0.40(Predicted)

Farbe

white

Merck

14,9503

Stabilität

Hygroscopic

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

SMILES

CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Treatment

General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.

Toxizitätsübersicht

Tofisopam does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor. One study (Rundfeldt C. et al.) has shown that tofisopam acts as an isoenzyme-selective inhibitor of phosphodiesterases (PDEs) with highest affinity to PDE-4A1 (0.42 _Мц_M) followed by PDE-10A1 (0.92 _Мц_M), PDE-3 (1.98 _Мц_M) and PDE-2A3 (2.11 _Мц_M).

Signs and Symptoms

The onset of impairment of consciousness is relatively rapid in benzodiazepine poisoning. Onset is more rapid following larger doses and with agents of shorter duration of action. The most common and initial symptom is somnolence. This may progress to coma (Grade I or Grade II) following very large ingestions.

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

Toxicity Data

Oral, Rat: LD50 = 825 mg/kg.

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 3077 9/PG 3

Zollcode

2933.99.8290

RTECS-Nr.

DE9540000

R-Sätze (R)

22-50

Gefahrensymbole

Xn,N

Sicherheitshinweise (S)

60-61

Gefahrenklasse

6.1(b)Acute Tox. 4 OralAquatic Acute 1

Verpackungsgruppe

III

Lagerklasse

11 - Combustible Solids