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Tofisopam

HCID 5502
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
22345-47-7
Standard-SMILES
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChIKey
RUJBDQSFYCKFAA-UHFFFAOYSA-N
Summenformel
C22H26N2O4
Durchschnittliche Molmasse
382,5 g/mol
Monoisotopische Masse
382,18925731

Überblick

Tofisopam is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name
Tofisopam
IUPAC
1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Lokaler Name
Tofisopam
Englischer Name
TOFISOPAM
Summenformel
C22H26N2O4
Molmasse
382.45

Namen und Synonyme

tofisopam22345-47-71-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepineEmandaxintofizopamTofisopamumDTXSID3023681UZC80HAU42DTXCID303681RefChem:898544N05BA23(5RS)-1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Weitere Namen anzeigen
TosopamTofisopam, >=99%TOFISOPAM 22345-47-7Tofisopam, 10 mM in DMSO7-CHLORO-1-METHYL-5-PHENYL-1,5-BENZODIAZEPINE-2,4-DIONE
244-922-3GrandaxinEgyt 341MFCD008231715H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepineNCGC00165912-02Seriel

Datenbank-Bezeichner

CAS
22345-47-7
PubChem CID
5502
DTXSID
DTXSID3023681

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
61,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
6
Schwere Atome
28
Formalladung
0
Komplexität
579

Experimentelle und physikochemische Eigenschaften

Melting Point152 °C
Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt
155 · 155-159°C
Siedepunkt
509.61 °C · 509.61°C (rough estimate)
Dichte
1.2098 · 1.2098 (rough estimate)
Brechungsindex
1.65 · 1.6500 (estimate)
Löslichkeit
14 mg/mL · DMSO: ~14 mg/mL
Aggregatzustand
solid
pka
7.29 · 7.29±0.40(Predicted)
Farbe
white
Merck
14 · 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

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Treatment · 1 Eintrag

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.

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1 Eintrag

Like other benzodiazepines, tofisopam possesses anxiolytic properties but unlike other benzodiazepines it does not have anticonvulsant, sedative, skeletal muscle relaxant, motor skill-impairing or amnestic properties. It enhances the anticonvulsant activity of 1,4-benzodiazepines like diazepam but not sodium valproate, carbamazepine, phenobarbital, or phenytoin.

Mechanism of Action · 1 Eintrag

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 μM) followed by PDE-10A1 (0.92 μM), PDE-3 (1.98 μM) and PDE-2A3 (2.11 μM).

Biological Half-Life6-8 hours
Metabolism/Metabolites · 2 Einträge

Hepatic.

Hepatic. Half Life: 6-8 hours

MeSH Pharmacological Classification · 1 Eintrag

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.

Cellular LocationsMembrane

Verwendung und Herstellung

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Notizen zur Verbindung

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
ChEMBL
CHEMBL404216
ChEBI
CHEBI:32241
UNII
UZC80HAU42
EC Number
244-922-3
Nikkaji
J11.504E
InChIKey
RUJBDQSFYCKFAA-UHFFFAOYSA-N
SMILES
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13
Toxicity Summary · 1 Eintrag

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 · 1 Eintrag

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 ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataOral, Rat: LD50 = 825 mg/kg.

Sicherheitsdaten

wgk
2
ridadr
UN 3077 9/PG 3
hs_code
2933.99.8290
RTECS-Nr.
DE9540000
risk_code
22-50
hazard_code
Xn,N
safety_code
60-61
hazard_class
6.1(b)
packing_group
III
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1
UsesFor the treatment of anxiety and alcohol withdrawal.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Hydrazine hydrate

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