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토피소팜

Tofisopam

HCID 5502
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
22345-47-7
표준 SMILES
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21
InChIKey
RUJBDQSFYCKFAA-UHFFFAOYSA-N
분자식
C22H26N2O4
평균 분자량
382.5 g/mol
단동위원소 질량
382.18925731

개요

Tofisopam is an organic molecular entity.

이름 및 식별자

우선 이름
Tofisopam
IUPAC
1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
현지명
토피소팜
영어명
TOFISOPAM
분자식
C22H26N2O4
분자량
382.45

이름 및 동의어

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
이름 더 보기
토피소팜TosopamTofisopam, >=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

데이터베이스 식별자

CAS
22345-47-7
PubChem CID
5502
DTXSID
DTXSID3023681
ChEMBL
CHEMBL404216

물성

구조 계산 물성

XLogP
3.2
극성 표면적
61.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
28
형식 전하
0
복잡도
579

실험 및 물리화학적 성질

Melting Point152 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
155 · 155-159°C
끓는 점
509.61 °C · 509.61°C (rough estimate)
밀도
1.2098 · 1.2098 (rough estimate)
굴절률
1.65 · 1.6500 (estimate)
용해도
14 mg/mL · DMSO: ~14mg/mL
물리적 상태
고체
산도 계수 (pKa)
7.29 · 7.29±0.40(Predicted)
색상
하얀색
Merck
14 · 14,9503
안정성
흡습성
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

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Treatment · 1건

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.

Toxicity Summary · 1건

화학 및 산업

약리 정보

ATC Code · 2건

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1건

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 · 1건

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 · 2건

Hepatic.

Hepatic. Half Life: 6-8 hours

MeSH Pharmacological Classification · 1건

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

용도 및 제조

관련 반응

7건
반응 기록 만들기
HRID 905168 반응식
HRID 905168반응물로uspto-grants-1983_12
HRID 905169 반응식
HRID 905169반응물로uspto-grants-1983_12
HRID 1146474 반응식
HRID 1146474반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1149226 반응식
HRID 1149226반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1235106 반응식
HRID 1235106반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1421857 반응식
HRID 1421857생성물로uspto-grants-2000_06
HRID 2059130 반응식
HRID 2059130반응물로uspto-grants-1982_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:32241
UNII
UZC80HAU42
EC Number
244-922-3
Nikkaji
J11.504E

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 · 1건

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.

안전 데이터

wgk
2
rtecs
DE9540000
ridadr
UN 3077 9/PG 3
HS 번호
2933.99.8290
risk_code
22-50
hazard_code
Xn,N
safety_code
60-61
포장분류
III
위험 등급
6.1(b)
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1
스토리지 클래스
11 - Combustible Solids
Uses
For the treatment of anxiety and alcohol withdrawal.

상·하류 제품 정보

상류 원료

하이드라진, 모노수화물

공급사74 곳

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