기본 정보
- CAS
37115-32-5- 표준 SMILES
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2- InChIKey
GJSLOMWRLALDCT-UHFFFAOYSA-N- 분자식
- C19H18ClN5
- 평균 분자량
- 351.8 g/mol
- 단동위원소 질량
- 351.1250733
이름 및 식별자
- 우선 이름
- Adinazolam
- IUPAC
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
- 현지명
- 아디나졸람
- 영어명
- ADINAZOLAM
- 분자식
- C19H18ClN5
- 분자량
- 351.83
이름 및 동의어
ADINAZOLAM37115-32-5AdinazolamumU-411238-Chloro-1-((dimethylamino)methyl)-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepineDTXSID40190611U-41,123KN08449444CHEBI:2514128-chloro-1-[(dimethylamino)methyl]-6-phenyl-4h-s-triazolo[4,3-a][1,4]benzodiazepine((12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo(8.4.0.0^(2,6))tetradeca-1(10),3,5,8,11,13-hexaen-3-yl)methyl)dimethylamine({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine
이름 더 보기
아디나졸람Adinazolam (CRM)Adinazolam solution8-Chloro-N,N-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-methanamine4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanamine, 8-chloro-N,N-dimethyl-6-phenyl-γ-Aminobutyric acid Receptor,sickness,antihistamine,GABA Receptor,inhibit,Adinazolam,U-41123,U 41123,Huntington,Gamma-aminobutyric acid Receptor,anti-motion,piperazine,U41123,Inhibitor
RefChem:553043DTXCID80113102N05BA07Adinazolamum [INN-Latin]Deracyn1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamineU 41123Adinazolam [USAN]
데이터베이스 식별자
- CAS
37115-32-5- PubChem CID
- 37632
- DTXSID
DTXSID40190611- ChEMBL
CHEMBL328250- ChEBI
CHEBI:251412- UNII
- KN08449444
- Nikkaji
- J19.718A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 490
실험 및 물리화학적 성질
LogP
4.4
4.4
Solubility6.72e-02 g/L
Physical DescriptionSolid
Kovats Retention Index3060
물리화학적 성질
- 녹는점
- 171 · 171-172.5° (US 4250094); mp 165-166° (DE 2201210)
- 끓는 점
- 527 · 527.0±60.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 저장 조건
- -10 to · -10 to -25°C
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 6.2 · pKa 6.2 (D2O/DClor D2O/NaOD ) (Uncertain);5.8±0.1(D2O/DClor D2O/NaOD ) (Uncertain)
- 색상
- White to off-white
- InChI
- 1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
- InChIKey
- GJSLOMWRLALDCT-UHFFFAOYSA-N
- SMILES
- Clc1cc2c(cc1)[n]3c(nnc3CN(C)C)CN=C2c4ccccc4
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 2
- ridadr
- 3249
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
ATC Code
N - Nervous system；N05 - Psycholeptics；N05B - Anxiolytics；N05BA - Benzodiazepine derivatives；N05BA07 - Adinazolam
QN - Nervous system；QN05 - Psycholeptics；QN05B - Anxiolytics；QN05BA - Benzodiazepine derivatives；QN05BA07 - Adinazolam
Pharmacodynamics
Adinazolam is a benzodiazepine derivative used to treat anxiety, status epilepticus, and for sedation induction and anterograde amnesia. Adinazolam binds with high affinity to the GABA benzodiazepine receptor complex. Considerable evidence suggest that the central pharmacologic/therapeutic actions of alprazolam are mediated via interaction with this receptor complex.
Mechanism of Action
Adinazolam binds to peripheral-type benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways.
Biological Half-LifeLess than 3 hours.
Metabolism/Metabolites
The drug primarily undergoes hepatic metabolism to form the main metabolite N-desmethyladinazolam, alpha-hydroxyalprazolam, and estazolam.
Adinazolam has known human metabolites that include N-demethyladinazolam.
MeSH Pharmacological Classification
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 Locations
관련 반응
5건
화합물 노트
불러오는 중…